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

C13H14N2O5 — CID 102710593

IUPAC3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1ccc2c(c1)NC(=O)C2)C(=O)O
InChIInChI=1S/C13H14N2O5/c1-6(16)11(13(19)20)15-12(18)8-3-2-7-5-10(17)14-9(7)4-8/h2-4,6,11,16H,5H2,1H3,(H,14,17)(H,15,18)(H,19,20)
InChIKeyAAHDMEWIFQQFSW-UHFFFAOYSA-N
MW278.26 g/mol
LogP-0.25
Rot. Bonds4

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

3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid (PubChem CID 102710593) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
PubChem CID102710593
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)c1ccc2c(c1)NC(=O)C2)C(=O)O
InChIInChI=1S/C13H14N2O5/c1-6(16)11(13(19)20)15-12(18)8-3-2-7-5-10(17)14-9(7)4-8/h2-4,6,11,16H,5H2,1H3,(H,14,17)(H,15,18)(H,19,20)
InChIKeyAAHDMEWIFQQFSW-UHFFFAOYSA-N
XLogP-0.25
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710671
(2R)-4-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710687
2-oxo-N-(1-pyridin-4-ylethyl)-1,3-dihydroindole-6-carboxamide
CID 102711761
N-heptan-2-yl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711809
2-oxo-N-(1-thiophen-2-ylethyl)-1,3-dihydroindole-6-carboxamide
CID 102711764
3-methyl-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710806
2-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-dihydroindole-6-carboxamide
CID 102712241
(2S,3R)-2-[[3-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 40571808
3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
CID 16777702
2-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 102710796
N-(2-amino-1-cyclopropylethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711574
3-methoxy-4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid
CID 103152957

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid (CID 102710593) is 3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid is CC(O)C(NC(=O)c1ccc2c(c1)NC(=O)C2)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
The InChIKey is AAHDMEWIFQQFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-6(16)11(13(19)20)15-12(18)8-3-2-7-5-10(17)14-9(7)4-8/h2-4,6,11,16H,5H2,1H3,(H,14,17)(H,15,18)(H,19,20).
What are the key properties of 3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid?
3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid has a molecular weight of 278.26 g/mol, XLogP of -0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 102710593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).