3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid

C15H20N2O4 — CID 103157004

IUPAC3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)c1cccc2c1CCCN2)CC(=O)O
InChIInChI=1S/C15H20N2O4/c1-21-10(8-14(18)19)9-17-15(20)12-4-2-6-13-11(12)5-3-7-16-13/h2,4,6,10,16H,3,5,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyFHMPTSWNLZFESO-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.26
Rot. Bonds6

About 3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid

3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid (PubChem CID 103157004) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid
PubChem CID103157004
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid
SMILESCOC(CNC(=O)c1cccc2c1CCCN2)CC(=O)O
InChIInChI=1S/C15H20N2O4/c1-21-10(8-14(18)19)9-17-15(20)12-4-2-6-13-11(12)5-3-7-16-13/h2,4,6,10,16H,3,5,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyFHMPTSWNLZFESO-UHFFFAOYSA-N
XLogP1.26
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 113303798
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
3-methoxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 103153230
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
(2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid
CID 103869747
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63244251
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63837289
4-[(2-bromobenzoyl)amino]-3-methoxybutanoic acid
CID 103153060
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 106336780
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid (CID 103157004) is 3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid is COC(CNC(=O)c1cccc2c1CCCN2)CC(=O)O.
What is the InChIKey of 3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid?
The InChIKey is FHMPTSWNLZFESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-10(8-14(18)19)9-17-15(20)12-4-2-6-13-11(12)5-3-7-16-13/h2,4,6,10,16H,3,5,7-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid?
3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid is sourced from PubChem (CID 103157004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).