2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride

C8H11ClN2O2 — CID 146014247

IUPAC2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride
SMILESCC(N)(C(=O)O)c1ccncc1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-8(9,7(11)12)6-2-4-10-5-3-6;/h2-5H,9H2,1H3,(H,11,12);1H
InChIKeyVHXWTYLQZGUTDQ-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.76
Rot. Bonds2

About 2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride

2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride (PubChem CID 146014247) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride
PubChem CID146014247
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride
SMILESCC(N)(C(=O)O)c1ccncc1.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-8(9,7(11)12)6-2-4-10-5-3-6;/h2-5H,9H2,1H3,(H,11,12);1H
InChIKeyVHXWTYLQZGUTDQ-UHFFFAOYSA-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

(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674
(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
CID 68715954
2-amino-2-(4-methyl-3-pyridinyl)propanoic acid
CID 55292841
2-methoxy-2-pyridin-4-ylpropanoic acid
CID 82236563
2-(dimethylamino)-2-pyridin-4-ylpropanoic acid
CID 43803131
2-methyl-2-pyridin-4-ylpropanehydrazide;hydrochloride
CID 131964184
2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride
CID 120597643
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 24692906
2-propan-2-yloxy-2-pyridin-4-ylpropanoic acid
CID 82238702
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 82129155
(2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid
CID 55253702

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride (CID 146014247) is 2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride is CC(N)(C(=O)O)c1ccncc1.Cl.
What is the InChIKey of 2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride?
The InChIKey is VHXWTYLQZGUTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c1-8(9,7(11)12)6-2-4-10-5-3-6;/h2-5H,9H2,1H3,(H,11,12);1H.
What are the key properties of 2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride?
2-amino-2-pyridin-4-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 2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 146014247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).