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

C15H16N2O4 — CID 102710846

IUPAC3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1ccc2c(c1)CC(=O)N2)C1CC1
InChIInChI=1S/C15H16N2O4/c18-13-6-10-5-9(3-4-11(10)16-13)15(21)17-12(7-14(19)20)8-1-2-8/h3-5,8,12H,1-2,6-7H2,(H,16,18)(H,17,21)(H,19,20)
InChIKeyUKPZHFICSVVQGY-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.16
Rot. Bonds5

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

3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid (PubChem CID 102710846) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
PubChem CID102710846
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1ccc2c(c1)CC(=O)N2)C1CC1
InChIInChI=1S/C15H16N2O4/c18-13-6-10-5-9(3-4-11(10)16-13)15(21)17-12(7-14(19)20)8-1-2-8/h3-5,8,12H,1-2,6-7H2,(H,16,18)(H,17,21)(H,19,20)
InChIKeyUKPZHFICSVVQGY-UHFFFAOYSA-N
XLogP1.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711574
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 113429194
N-benzhydryl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784603
2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid
CID 102710831
N-(1-cyclopentyl-2-phenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86899515
2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
CID 113237405
N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103708354
3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 81362129
N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712430
3-[cyclopropyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710636
2-[1-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]cyclobutyl]acetic acid
CID 102710800
2-oxo-N-(thiolan-3-yl)-1,3-dihydroindole-5-carboxamide
CID 103708614

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid (CID 102710846) is 3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid is O=C(O)CC(NC(=O)c1ccc2c(c1)CC(=O)N2)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid?
The InChIKey is UKPZHFICSVVQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13-6-10-5-9(3-4-11(10)16-13)15(21)17-12(7-14(19)20)8-1-2-8/h3-5,8,12H,1-2,6-7H2,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of 3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid?
3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 102710846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).