(2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride

C9H19ClN2O4 — CID 153408462

IUPAC(2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
SMILESCC(C)(C)OC(=O)NC[C@@](C)(N)C(=O)O.Cl
InChIInChI=1S/C9H18N2O4.ClH/c1-8(2,3)15-7(14)11-5-9(4,10)6(12)13;/h5,10H2,1-4H3,(H,11,14)(H,12,13);1H/t9-;/m1./s1
InChIKeyKJSDXVSXOIKIPK-SBSPUUFOSA-N
MW254.71 g/mol
LogP0.73
Rot. Bonds3

About (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride

(2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride (PubChem CID 153408462) has the molecular formula C9H19ClN2O4 and a molecular weight of 254.71 g/mol. Its IUPAC name is (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
PubChem CID153408462
Molecular FormulaC9H19ClN2O4
Molecular Weight254.71 g/mol
Exact Mass254.10
IUPAC Name(2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
SMILESCC(C)(C)OC(=O)NC[C@@](C)(N)C(=O)O.Cl
InChIInChI=1S/C9H18N2O4.ClH/c1-8(2,3)15-7(14)11-5-9(4,10)6(12)13;/h5,10H2,1-4H3,(H,11,14)(H,12,13);1H/t9-;/m1./s1
InChIKeyKJSDXVSXOIKIPK-SBSPUUFOSA-N
XLogP0.73
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate
CID 154779852
tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
CID 170622454
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride
CID 146082291
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106488784
tert-butyl N-[(2R)-2-amino-3,3,3-trifluoro-2-methylpropyl]carbamate
CID 178201471
2,2-difluoro-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 178200641
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride?
The IUPAC name of (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride (CID 153408462) is (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride is CC(C)(C)OC(=O)NC[C@@](C)(N)C(=O)O.Cl.
What is the InChIKey of (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride?
The InChIKey is KJSDXVSXOIKIPK-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H18N2O4.ClH/c1-8(2,3)15-7(14)11-5-9(4,10)6(12)13;/h5,10H2,1-4H3,(H,11,14)(H,12,13);1H/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride?
(2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride has a molecular weight of 254.71 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 153408462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).