2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid

C13H17N3O4 — CID 107437614

IUPAC2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
SMILESCc1ccc(NC(=O)N(CC(N)=O)CC(=O)O)cc1C
InChIInChI=1S/C13H17N3O4/c1-8-3-4-10(5-9(8)2)15-13(20)16(6-11(14)17)7-12(18)19/h3-5H,6-7H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyXVROHAHTIVMLEI-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.71
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid (PubChem CID 107437614) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
PubChem CID107437614
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
SMILESCc1ccc(NC(=O)N(CC(N)=O)CC(=O)O)cc1C
InChIInChI=1S/C13H17N3O4/c1-8-3-4-10(5-9(8)2)15-13(20)16(6-11(14)17)7-12(18)19/h3-5H,6-7H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyXVROHAHTIVMLEI-UHFFFAOYSA-N
XLogP0.71
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 63645091
2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid
CID 107438322
2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid
CID 107438347
2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid
CID 107435187
2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid
CID 62813606
2-[(2-amino-2-oxoethyl)-[(2-bromo-5-methylphenyl)carbamoyl]amino]acetic acid
CID 107439128
N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide
CID 144808255
2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 107437366
2-[(3-fluoro-4-methylphenyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263446
2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid
CID 107438962
2-[carboxymethyl-[(3-ethylphenyl)carbamoyl]amino]acetic acid
CID 63645936
2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271553

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid (CID 107437614) is 2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid is Cc1ccc(NC(=O)N(CC(N)=O)CC(=O)O)cc1C.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is XVROHAHTIVMLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8-3-4-10(5-9(8)2)15-13(20)16(6-11(14)17)7-12(18)19/h3-5H,6-7H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 0.71, 5 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)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107437614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).