2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid

C13H17N3O5 — CID 107438322

IUPAC2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid
SMILESCOc1ccc(NC(=O)N(CC(N)=O)CC(=O)O)cc1C
InChIInChI=1S/C13H17N3O5/c1-8-5-9(3-4-10(8)21-2)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)
InChIKeyRNMOYZONUXFUDU-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.41
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid (PubChem CID 107438322) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid
PubChem CID107438322
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid
SMILESCOc1ccc(NC(=O)N(CC(N)=O)CC(=O)O)cc1C
InChIInChI=1S/C13H17N3O5/c1-8-5-9(3-4-10(8)21-2)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)
InChIKeyRNMOYZONUXFUDU-UHFFFAOYSA-N
XLogP0.41
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid with MolForge

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Related Compounds

2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 107437614
2-[carboxymethyl-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 63645091
2-[(2-amino-2-oxoethyl)-[(4-ethoxyphenyl)carbamoyl]amino]acetic acid
CID 107437327
2-[(2-amino-2-oxoethyl)-[(3-ethoxyphenyl)carbamoyl]amino]acetic acid
CID 107438347
2-[(2-amino-2-oxoethyl)-(2,6-dimethoxybenzoyl)amino]acetic acid
CID 107433700
2-[(3-fluoro-4-methoxyphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79276907
2-[(2-amino-2-oxoethyl)-[(4-nitrophenyl)carbamoyl]amino]acetic acid
CID 107435187
2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271553
2-[(4-fluoro-3-methoxyphenyl)carbamoyl-prop-2-enylamino]acetic acid
CID 114840318
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid (CID 107438322) is 2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid is COc1ccc(NC(=O)N(CC(N)=O)CC(=O)O)cc1C.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is RNMOYZONUXFUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-8-5-9(3-4-10(8)21-2)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)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 295.30 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(4-methoxy-3-methylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107438322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).