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

C14H16N2O4 — CID 102710796

IUPAC2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)c1ccc2c(c1)NC(=O)C2)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-3-14(2,13(19)20)16-12(18)9-5-4-8-7-11(17)15-10(8)6-9/h4-6H,3,7H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyLHUCIIUDBTZNPR-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.16
Rot. Bonds4

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

2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid (PubChem CID 102710796) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
PubChem CID102710796
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)c1ccc2c(c1)NC(=O)C2)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-3-14(2,13(19)20)16-12(18)9-5-4-8-7-11(17)15-10(8)6-9/h4-6H,3,7H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyLHUCIIUDBTZNPR-UHFFFAOYSA-N
XLogP1.16
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737542
(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-[(1-ethylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737434
(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710687
N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711809
3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710806
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710593
2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid
CID 102710704
3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 103152957
2-[(4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 79792550

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid (CID 102710796) is 2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid is CCC(C)(NC(=O)c1ccc2c(c1)NC(=O)C2)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
The InChIKey is LHUCIIUDBTZNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-14(2,13(19)20)16-12(18)9-5-4-8-7-11(17)15-10(8)6-9/h4-6H,3,7H2,1-2H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 102710796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).