(2S)-2-amino-3-quinolin-2-ylpropanoic acid

C12H12N2O2 — CID 7006695

IUPAC(2S)-2-amino-3-quinolin-2-ylpropanoic acid
SMILESN[C@@H](Cc1ccc2ccccc2n1)C(=O)O
InChIInChI=1S/C12H12N2O2/c13-10(12(15)16)7-9-6-5-8-3-1-2-4-11(8)14-9/h1-6,10H,7,13H2,(H,15,16)/t10-/m0/s1
InChIKeyCRSSRGSNAKKNNI-JTQLQIEISA-N
MW216.24 g/mol
LogP1.19
Rot. Bonds3

About (2S)-2-amino-3-quinolin-2-ylpropanoic acid

(2S)-2-amino-3-quinolin-2-ylpropanoic acid (PubChem CID 7006695) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2S)-2-amino-3-quinolin-2-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-quinolin-2-ylpropanoic acid
PubChem CID7006695
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(2S)-2-amino-3-quinolin-2-ylpropanoic acid
SMILESN[C@@H](Cc1ccc2ccccc2n1)C(=O)O
InChIInChI=1S/C12H12N2O2/c13-10(12(15)16)7-9-6-5-8-3-1-2-4-11(8)14-9/h1-6,10H,7,13H2,(H,15,16)/t10-/m0/s1
InChIKeyCRSSRGSNAKKNNI-JTQLQIEISA-N
XLogP1.19
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-4-Amino-4-oxo-2-(((quinolin-2-yl)carbonyl)amino)butanoic acid
CID 11044384
3-(Quinolin-2-yl)propanoic acid
CID 264313
2-(2-Methyl-4-phenylquinolin-3-yl)acetic acid
CID 2113303
3-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]propanoic acid;dihydrochloride
CID 51050544
4-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]butanoic acid;dihydrochloride
CID 51050546
5-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]pentanoic acid;dihydrochloride
CID 51050548
6-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]hexanoic acid;dihydrochloride
CID 51050550
ACETIC ACID, p-(9-ACRIDINYLAMINO)PHENYL-
CID 47480
2-(Quinolin-3-YL)acetic acid
CID 604482
Isotryptophan
CID 10262329
2-(Quinolin-8-yl)acetic acid
CID 16227542
3-(1,10-Phenanthrol-2-Yl)-L-Alanine
CID 17754134

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-quinolin-2-ylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-quinolin-2-ylpropanoic acid (CID 7006695) is (2S)-2-amino-3-quinolin-2-ylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-quinolin-2-ylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-quinolin-2-ylpropanoic acid is N[C@@H](Cc1ccc2ccccc2n1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-quinolin-2-ylpropanoic acid?
The InChIKey is CRSSRGSNAKKNNI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12N2O2/c13-10(12(15)16)7-9-6-5-8-3-1-2-4-11(8)14-9/h1-6,10H,7,13H2,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-quinolin-2-ylpropanoic acid?
(2S)-2-amino-3-quinolin-2-ylpropanoic acid has a molecular weight of 216.24 g/mol, XLogP of 1.19, 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-quinolin-2-ylpropanoic acid is sourced from PubChem (CID 7006695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).