4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid

C13H14N2O4 — CID 82501019

IUPAC4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
SMILESO=C(O)CCC(=O)NCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H14N2O4/c16-11(3-4-13(18)19)14-7-8-1-2-10-9(5-8)6-12(17)15-10/h1-2,5H,3-4,6-7H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyGOJRKEQFPJBATF-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.66
Rot. Bonds5

About 4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid

4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid (PubChem CID 82501019) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
PubChem CID82501019
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
SMILESO=C(O)CCC(=O)NCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H14N2O4/c16-11(3-4-13(18)19)14-7-8-1-2-10-9(5-8)6-12(17)15-10/h1-2,5H,3-4,6-7H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyGOJRKEQFPJBATF-UHFFFAOYSA-N
XLogP0.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155707
2-(4-methylphenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]acetamide
CID 110781350
4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115218605
N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158229
N-[(4-chlorophenyl)methyl]-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344819
3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propanoic acid
CID 112518611
N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclohexanecarboxamide
CID 110781277
3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide
CID 115161516
3-methyl-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 115219921
3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide
CID 110781303
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284
2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 82496063

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid?
The IUPAC name of 4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid (CID 82501019) is 4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid?
The canonical SMILES for 4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid is O=C(O)CCC(=O)NCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid?
The InChIKey is GOJRKEQFPJBATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-11(3-4-13(18)19)14-7-8-1-2-10-9(5-8)6-12(17)15-10/h1-2,5H,3-4,6-7H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid?
4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid has a molecular weight of 262.26 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid is sourced from PubChem (CID 82501019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).