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

C13H14N2O5 — CID 102710774

IUPAC2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
SMILESCC(O)(CNC(=O)c1ccc2c(c1)CC(=O)N2)C(=O)O
InChIInChI=1S/C13H14N2O5/c1-13(20,12(18)19)6-14-11(17)7-2-3-9-8(4-7)5-10(16)15-9/h2-4,20H,5-6H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyNYQACCYIOFLDTL-UHFFFAOYSA-N
MW278.26 g/mol
LogP-0.25
Rot. Bonds4

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

2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid (PubChem CID 102710774) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
PubChem CID102710774
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
SMILESCC(O)(CNC(=O)c1ccc2c(c1)CC(=O)N2)C(=O)O
InChIInChI=1S/C13H14N2O5/c1-13(20,12(18)19)6-14-11(17)7-2-3-9-8(4-7)5-10(16)15-9/h2-4,20H,5-6H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyNYQACCYIOFLDTL-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

N-(2-ethyl-2-hydroxybutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103711840
N-(2-methyl-2-methylsulfanylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103713488
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 66177881
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711566
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103868642
2-[ethyl-(2-oxo-1,3-dihydroindole-5-carbonyl)amino]-2-methylpropanoic acid
CID 102710703

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid (CID 102710774) is 2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid is CC(O)(CNC(=O)c1ccc2c(c1)CC(=O)N2)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid?
The InChIKey is NYQACCYIOFLDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-13(20,12(18)19)6-14-11(17)7-2-3-9-8(4-7)5-10(16)15-9/h2-4,20H,5-6H2,1H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid?
2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic 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 2-hydroxy-2-methyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 102710774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).