(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid

C13H16N2O3 — CID 78967710

IUPAC(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)c1ccc2c(c1)CCCN2)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-8(13(17)18)15-12(16)10-4-5-11-9(7-10)3-2-6-14-11/h4-5,7-8,14H,2-3,6H2,1H3,(H,15,16)(H,17,18)/t8-/m0/s1
InChIKeyNVSRDFVKTDJRRB-QMMMGPOBSA-N
MW248.28 g/mol
LogP1.25
Rot. Bonds3

About (2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid

(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid (PubChem CID 78967710) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
PubChem CID78967710
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)c1ccc2c(c1)CCCN2)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-8(13(17)18)15-12(16)10-4-5-11-9(7-10)3-2-6-14-11/h4-5,7-8,14H,2-3,6H2,1H3,(H,15,16)(H,17,18)/t8-/m0/s1
InChIKeyNVSRDFVKTDJRRB-QMMMGPOBSA-N
XLogP1.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79009724
4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 61244599
N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 93083207
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61252678
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81394978
N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81389029
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106161445
methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate
CID 60780386
N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106212712
2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid
CID 82257819
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553
(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 61174014

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid (CID 78967710) is (2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid is C[C@H](NC(=O)c1ccc2c(c1)CCCN2)C(=O)O.
What is the InChIKey of (2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid?
The InChIKey is NVSRDFVKTDJRRB-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(13(17)18)15-12(16)10-4-5-11-9(7-10)3-2-6-14-11/h4-5,7-8,14H,2-3,6H2,1H3,(H,15,16)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid?
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid is sourced from PubChem (CID 78967710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).