(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride

C8H11ClN2O2 — CID 46705394

IUPAC(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
SMILESCl.N[C@@H](Cc1ccccn1)C(=O)O
InChIInChI=1S/C8H10N2O2.ClH/c9-7(8(11)12)5-6-3-1-2-4-10-6;/h1-4,7H,5,9H2,(H,11,12);1H/t7-;/m0./s1
InChIKeyZOSGLKLQNRBVPD-FJXQXJEOSA-N
MW202.64 g/mol
LogP0.46
Rot. Bonds3

About (2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride

(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride (PubChem CID 46705394) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is (2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
PubChem CID46705394
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
SMILESCl.N[C@@H](Cc1ccccn1)C(=O)O
InChIInChI=1S/C8H10N2O2.ClH/c9-7(8(11)12)5-6-3-1-2-4-10-6;/h1-4,7H,5,9H2,(H,11,12);1H/t7-;/m0./s1
InChIKeyZOSGLKLQNRBVPD-FJXQXJEOSA-N
XLogP0.46
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid
CID 69091689
(2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid
CID 67254452
(2R)-2-amino-N,N-dimethyl-3-pyridin-2-ylpropanamide
CID 73439082
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
CID 58458155
2-hydroxy-3-pyridin-2-ylpropanoic acid chloride
CID 5351816
2-amino-N',N'-dimethyl-3-pyridin-2-ylpropanehydrazide;hydrochloride
CID 67279388
(2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid
CID 161352195
2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 56832236
(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride
CID 178184520

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride (CID 46705394) is (2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride is Cl.N[C@@H](Cc1ccccn1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride?
The InChIKey is ZOSGLKLQNRBVPD-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c9-7(8(11)12)5-6-3-1-2-4-10-6;/h1-4,7H,5,9H2,(H,11,12);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride?
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 46705394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).