2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride

C12H14ClN3O2 — CID 135330870

IUPAC2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride
SMILESCl.NC(Cc1cccc(-c2ccn[nH]2)c1)C(=O)O
InChIInChI=1S/C12H13N3O2.ClH/c13-10(12(16)17)7-8-2-1-3-9(6-8)11-4-5-14-15-11;/h1-6,10H,7,13H2,(H,14,15)(H,16,17);1H
InChIKeyKAVPDZPKJZHEIZ-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.45
Rot. Bonds4

About 2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride

2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride (PubChem CID 135330870) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride
PubChem CID135330870
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride
SMILESCl.NC(Cc1cccc(-c2ccn[nH]2)c1)C(=O)O
InChIInChI=1S/C12H13N3O2.ClH/c13-10(12(16)17)7-8-2-1-3-9(6-8)11-4-5-14-15-11;/h1-6,10H,7,13H2,(H,14,15)(H,16,17);1H
InChIKeyKAVPDZPKJZHEIZ-UHFFFAOYSA-N
XLogP1.45
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid
CID 171702919
(2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid
CID 172529545
3-[3-(2-amino-2-carboxyethyl)phenyl]benzoic acid
CID 45101472
2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid
CID 170879584
(2R)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 168719794
(2S)-2-amino-3-(3-aminophenyl)propanoic acid;dihydrochloride
CID 118989386
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
N-[[3-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 66854704
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid
CID 11509081
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride (CID 135330870) is 2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride is Cl.NC(Cc1cccc(-c2ccn[nH]2)c1)C(=O)O.
What is the InChIKey of 2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride?
The InChIKey is KAVPDZPKJZHEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2.ClH/c13-10(12(16)17)7-8-2-1-3-9(6-8)11-4-5-14-15-11;/h1-6,10H,7,13H2,(H,14,15)(H,16,17);1H.
What are the key properties of 2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride?
2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride has a molecular weight of 267.72 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(1H-pyrazol-5-yl)phenyl]propanoic acid;hydrochloride is sourced from PubChem (CID 135330870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).