4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid

C14H18N2O4 — CID 61244599

IUPAC4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H18N2O4/c17-7-5-12(14(19)20)16-13(18)10-3-4-11-9(8-10)2-1-6-15-11/h3-4,8,12,15,17H,1-2,5-7H2,(H,16,18)(H,19,20)
InChIKeyFGCXVJLAQYJFGH-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.61
Rot. Bonds5

About 4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid

4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid (PubChem CID 61244599) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
PubChem CID61244599
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H18N2O4/c17-7-5-12(14(19)20)16-13(18)10-3-4-11-9(8-10)2-1-6-15-11/h3-4,8,12,15,17H,1-2,5-7H2,(H,16,18)(H,19,20)
InChIKeyFGCXVJLAQYJFGH-UHFFFAOYSA-N
XLogP0.61
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic 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

(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)pentanoic acid
CID 103869735
(2S)-5-amino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoic acid
CID 61161325
(2R)-2-(2,3-dihydro-1H-indole-5-carbonylamino)-4-methylsulfanylbutanoic acid
CID 104909365
(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79009724
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553
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
2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid
CID 82257819
N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106116805
N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938314
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106161445

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid?
The IUPAC name of 4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid (CID 61244599) is 4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid.
What is the SMILES notation for 4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid?
The canonical SMILES for 4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid is O=C(NC(CCO)C(=O)O)c1ccc2c(c1)CCCN2.
What is the InChIKey of 4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid?
The InChIKey is FGCXVJLAQYJFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-7-5-12(14(19)20)16-13(18)10-3-4-11-9(8-10)2-1-6-15-11/h3-4,8,12,15,17H,1-2,5-7H2,(H,16,18)(H,19,20).
What are the key properties of 4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid?
4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid is sourced from PubChem (CID 61244599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).