3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid

C14H16N2O5 — CID 103152957

IUPAC3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
SMILESCOC(CNC(=O)c1ccc2c(c1)NC(=O)C2)CC(=O)O
InChIInChI=1S/C14H16N2O5/c1-21-10(6-13(18)19)7-15-14(20)9-3-2-8-5-12(17)16-11(8)4-9/h2-4,10H,5-7H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyKASMUHOZTSYFJI-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.40
Rot. Bonds6

About 3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid

3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid (PubChem CID 103152957) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
PubChem CID103152957
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
SMILESCOC(CNC(=O)c1ccc2c(c1)NC(=O)C2)CC(=O)O
InChIInChI=1S/C14H16N2O5/c1-21-10(6-13(18)19)7-15-14(20)9-3-2-8-5-12(17)16-11(8)4-9/h2-4,10H,5-7H2,1H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyKASMUHOZTSYFJI-UHFFFAOYSA-N
XLogP0.40
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710806
N-(2-cyclopropyl-2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712371
N-[(1-ethylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737434
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
2-oxo-N-(3-propan-2-yloxypropyl)-1,3-dihydroindole-6-carboxamide
CID 102712158
(2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710671
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852
N-[2-[cyclopropyl(methyl)amino]propyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737380
ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate
CID 102712457
4-[(3-bromo-4-methylbenzoyl)amino]-3-methoxybutanoic acid
CID 103152922
N-[(2-hydroxyphenyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712839
(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710687

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid (CID 103152957) is 3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid is COC(CNC(=O)c1ccc2c(c1)NC(=O)C2)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
The InChIKey is KASMUHOZTSYFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-21-10(6-13(18)19)7-15-14(20)9-3-2-8-5-12(17)16-11(8)4-9/h2-4,10H,5-7H2,1H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid has a molecular weight of 292.29 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 103152957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).