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H-Dap (Boc) -OMe · HCl

CAT: 0121-4026562.0005Size: 5 gDry Ice: NoHazardous: No
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CAT#:0121-4026562.0005Size:5 g
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CAS Number
114559-25-0
Specifications
F-3420.0005
Sequence
H-Dap (Boc) -OMe · HCl
Molecular Formula
C₉H₁₈N₂O₄ · HCl
Molecular Weight
254.71
Shipping Conditions
Ambient Temperature
Storage Temperature
+5 ± 3 °C

Chemical Information

methyl (2S)-2-amino-3-{[(tert-butoxy)carbonyl]amino}propanoate hydrochloride
CAS Number114559-25-0
PubChem CID18334328
IUPAC Namemethyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
Molecular FormulaC9H19ClN2O4
Molecular Weight254.71
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity235
SMILES
CC(C)(C)OC(=O)NC[C@@H](C(=O)OC)N.Cl
InChI
InChI=1S/C9H18N2O4.ClH/c1-9(2,3)15-8(13)11-5-6(10)7(12)14-4;/h6H,5,10H2,1-4H3,(H,11,13);1H/t6-;/m0./s1
InChIKey
GDJLJNFNXINTHS-RGMNGODLSA-N
Chemical Structure
2D Structure
2D structure of methyl (2S)-2-amino-3-{[(tert-butoxy)carbonyl]amino}propanoate hydrochloride
CAS: 114559-25-0
CID: 18334328
Formula: C9H19ClN2O4
MW: 254.71
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight254.71
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass254.1033348
Monoisotopic Mass254.1033348
Topological Polar Surface Area90.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes