2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid

C12H13N3O4 — CID 103999653

IUPAC2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
SMILESNC(=O)CNC(=O)N1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C12H13N3O4/c13-10(16)4-14-12(19)15-5-8-2-1-7(11(17)18)3-9(8)6-15/h1-3H,4-6H2,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyXTHCOQZDDLBOHE-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.10
Rot. Bonds3

About 2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid

2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 103999653) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID103999653
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
SMILESNC(=O)CNC(=O)N1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C12H13N3O4/c13-10(16)4-14-12(19)15-5-8-2-1-7(11(17)18)3-9(8)6-15/h1-3H,4-6H2,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyXTHCOQZDDLBOHE-UHFFFAOYSA-N
XLogP-0.10
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-amino-4-oxobutyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999743
2-[(2-amino-2-oxoethyl)-methylcarbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999723
2-(2-prop-2-ynylsulfanylethylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 106431270
2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999798
2-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103103434
2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999757
5-carbamoyl-1,3-dihydroisoindole-2-carboxylic acid
CID 174890707
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424
2-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103997266
2-(5-aminohexanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999365
2-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999862
2-(2-amino-3-methoxypropanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999397

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid (CID 103999653) is 2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid is NC(=O)CNC(=O)N1Cc2ccc(C(=O)O)cc2C1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is XTHCOQZDDLBOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c13-10(16)4-14-12(19)15-5-8-2-1-7(11(17)18)3-9(8)6-15/h1-3H,4-6H2,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid?
2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 103999653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).