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

C8H11ClN2O2 — CID 71485674

IUPAC(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
SMILESC[C@@](N)(C(=O)O)c1cccnc1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-8(9,7(11)12)6-3-2-4-10-5-6;/h2-5H,9H2,1H3,(H,11,12);1H/t8-;/m0./s1
InChIKeyBATMSSFSIGZPSP-QRPNPIFTSA-N
MW202.64 g/mol
LogP0.76
Rot. Bonds2

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

(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride (PubChem CID 71485674) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is (2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
PubChem CID71485674
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
SMILESC[C@@](N)(C(=O)O)c1cccnc1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-8(9,7(11)12)6-3-2-4-10-5-6;/h2-5H,9H2,1H3,(H,11,12);1H/t8-;/m0./s1
InChIKeyBATMSSFSIGZPSP-QRPNPIFTSA-N
XLogP0.76
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride
CID 146014247
2-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937
(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717
2-amino-2-(4-methyl-3-pyridinyl)propanoic acid
CID 55292841
2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid
CID 63704055
(3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide
CID 89248077
2-propylsulfanyl-2-pyridin-3-ylpropanoic acid
CID 114987629
2-amino-2-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 55078393
2-(2-methylbutan-2-ylamino)-2-pyridin-3-ylpropanoic acid
CID 114990173
2,2-dimethyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]-3-oxopropanoic acid
CID 115164093

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride (CID 71485674) is (2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride is C[C@@](N)(C(=O)O)c1cccnc1.Cl.
What is the InChIKey of (2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride?
The InChIKey is BATMSSFSIGZPSP-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c1-8(9,7(11)12)6-3-2-4-10-5-6;/h2-5H,9H2,1H3,(H,11,12);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride?
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 71485674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).