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

C7H9ClN2O2 — CID 42614333

IUPAC2-amino-2-pyridin-4-ylacetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1ccncc1
InChIInChI=1S/C7H8N2O2.ClH/c8-6(7(10)11)5-1-3-9-4-2-5;/h1-4,6H,8H2,(H,10,11);1H
InChIKeyUXXZLMVYTOGJJU-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.59
Rot. Bonds2

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

2-amino-2-pyridin-4-ylacetic acid;hydrochloride (PubChem CID 42614333) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 2-amino-2-pyridin-4-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-pyridin-4-ylacetic acid;hydrochloride
PubChem CID42614333
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name2-amino-2-pyridin-4-ylacetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1ccncc1
InChIInChI=1S/C7H8N2O2.ClH/c8-6(7(10)11)5-1-3-9-4-2-5;/h1-4,6H,8H2,(H,10,11);1H
InChIKeyUXXZLMVYTOGJJU-UHFFFAOYSA-N
XLogP0.59
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-4-yl-2-sulfanylacetic acid
CID 19758802
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
CID 172809734
CID 172809734
2-amino-2-(4-iodophenyl)acetic acid;hydrochloride
CID 67151724
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
2-amino-2-(4-pyridin-3-ylphenyl)acetic acid
CID 77129112
(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride
CID 171338117
(2S)-2-amino-2-(4-imidazol-1-ylphenyl)acetic acid
CID 66512415
2-amino-2-pyrimidin-4-ylacetic acid
CID 23132468
2-amino-2-(3-hydroxy-4-pyridinyl)acetic acid
CID 55293514

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-pyridin-4-ylacetic acid;hydrochloride?
The IUPAC name of 2-amino-2-pyridin-4-ylacetic acid;hydrochloride (CID 42614333) is 2-amino-2-pyridin-4-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-pyridin-4-ylacetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-pyridin-4-ylacetic acid;hydrochloride is Cl.NC(C(=O)O)c1ccncc1.
What is the InChIKey of 2-amino-2-pyridin-4-ylacetic acid;hydrochloride?
The InChIKey is UXXZLMVYTOGJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.ClH/c8-6(7(10)11)5-1-3-9-4-2-5;/h1-4,6H,8H2,(H,10,11);1H.
What are the key properties of 2-amino-2-pyridin-4-ylacetic acid;hydrochloride?
2-amino-2-pyridin-4-ylacetic acid;hydrochloride has a molecular weight of 188.61 g/mol, XLogP of 0.59, 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-ylacetic acid;hydrochloride is sourced from PubChem (CID 42614333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).