4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid

C14H18N2O4 — CID 122021374

IUPAC4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid
SMILESCOc1ccc2c(c1)CCN2C(=O)NCCCC(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-11-4-5-12-10(9-11)6-8-16(12)14(19)15-7-2-3-13(17)18/h4-5,9H,2-3,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyHDTMTNKYGXYDAJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.63
Rot. Bonds5

About 4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid

4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid (PubChem CID 122021374) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid
PubChem CID122021374
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid
SMILESCOc1ccc2c(c1)CCN2C(=O)NCCCC(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-11-4-5-12-10(9-11)6-8-16(12)14(19)15-7-2-3-13(17)18/h4-5,9H,2-3,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyHDTMTNKYGXYDAJ-UHFFFAOYSA-N
XLogP1.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)amino]butanoic acid
CID 122022714
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
CID 60543023
5-[(4-methoxyphenyl)sulfamoyl]-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53058967
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
5-methoxy-N-[2-[4-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]-2,3-dihydroindole-1-carboxamide
CID 22390777
N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
CID 112971555
methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate
CID 60591298
7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 23032395
6-methoxy-3-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110663101

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid (CID 122021374) is 4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid is COc1ccc2c(c1)CCN2C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid?
The InChIKey is HDTMTNKYGXYDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-11-4-5-12-10(9-11)6-8-16(12)14(19)15-7-2-3-13(17)18/h4-5,9H,2-3,6-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid?
4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-2,3-dihydroindole-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 122021374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).