3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid

C15H16N2O4 — CID 102710636

IUPAC3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccc2c(c1)CC(=O)N2)C1CC1
InChIInChI=1S/C15H16N2O4/c18-13-8-10-7-9(1-4-12(10)16-13)15(21)17(11-2-3-11)6-5-14(19)20/h1,4,7,11H,2-3,5-6,8H2,(H,16,18)(H,19,20)
InChIKeyPBXUAMRUBCESCW-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.26
Rot. Bonds5

About 3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid

3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid (PubChem CID 102710636) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
PubChem CID102710636
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccc2c(c1)CC(=O)N2)C1CC1
InChIInChI=1S/C15H16N2O4/c18-13-8-10-7-9(1-4-12(10)16-13)15(21)17(11-2-3-11)6-5-14(19)20/h1,4,7,11H,2-3,5-6,8H2,(H,16,18)(H,19,20)
InChIKeyPBXUAMRUBCESCW-UHFFFAOYSA-N
XLogP1.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712103
N-cyclopropyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711793
N-cyclopropyl-2-oxo-N-propyl-1,3-dihydroindole-6-carboxamide
CID 102712009
3-[(4-aminobenzoyl)-cyclopropylamino]propanoic acid
CID 61161244
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 63209469
2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
CID 102710703
3-[cyclopropyl-(4-hydroxy-3-methylbenzoyl)amino]propanoic acid
CID 107674734
3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 54926497
3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710846
4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 82501019
4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82349945
cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid
CID 22827913

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid (CID 102710636) is 3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid is O=C(O)CCN(C(=O)c1ccc2c(c1)CC(=O)N2)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid?
The InChIKey is PBXUAMRUBCESCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13-8-10-7-9(1-4-12(10)16-13)15(21)17(11-2-3-11)6-5-14(19)20/h1,4,7,11H,2-3,5-6,8H2,(H,16,18)(H,19,20).
What are the key properties of 3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid?
3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 102710636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).