2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid

C13H14N2O4 — CID 82485441

IUPAC2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid
SMILESCC(NCC(=O)O)C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H14N2O4/c1-7(14-6-12(17)18)13(19)8-2-3-10-9(4-8)5-11(16)15-10/h2-4,7,14H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyGQNRNZHEYCOFIV-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.43
Rot. Bonds5

About 2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid

2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid (PubChem CID 82485441) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid
PubChem CID82485441
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid
SMILESCC(NCC(=O)O)C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H14N2O4/c1-7(14-6-12(17)18)13(19)8-2-3-10-9(4-8)5-11(16)15-10/h2-4,7,14H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyGQNRNZHEYCOFIV-UHFFFAOYSA-N
XLogP0.43
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116918199
4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoic acid
CID 82349945
5-[2-(methylamino)acetyl]-1,3-dihydroindol-2-one
CID 82112676
N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103708354
5-[2-(hydroxymethyl)butanoyl]-1,3-dihydroindol-2-one
CID 116923044
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82100437
2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
CID 113237405
methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate
CID 82349947
5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one
CID 103309352
3-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
CID 102710709
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913

Frequently Asked Questions

What is the IUPAC name of 2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid (CID 82485441) is 2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid is CC(NCC(=O)O)C(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid?
The InChIKey is GQNRNZHEYCOFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-7(14-6-12(17)18)13(19)8-2-3-10-9(4-8)5-11(16)15-10/h2-4,7,14H,5-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid?
2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid has a molecular weight of 262.26 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-oxo-1-(2-oxo-1,3-dihydroindol-5-yl)propan-2-yl]amino]acetic acid is sourced from PubChem (CID 82485441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).