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

C12H14ClN3O4 — CID 107437366

IUPAC2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid
SMILESCc1c(Cl)cccc1NC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C12H14ClN3O4/c1-7-8(13)3-2-4-9(7)15-12(20)16(5-10(14)17)6-11(18)19/h2-4H,5-6H2,1H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyFSIFQYNQEWHXEM-UHFFFAOYSA-N
MW299.71 g/mol
LogP1.05
Rot. Bonds5

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

2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid (PubChem CID 107437366) has the molecular formula C12H14ClN3O4 and a molecular weight of 299.71 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid
PubChem CID107437366
Molecular FormulaC12H14ClN3O4
Molecular Weight299.71 g/mol
Exact Mass299.07
IUPAC Name2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid
SMILESCc1c(Cl)cccc1NC(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C12H14ClN3O4/c1-7-8(13)3-2-4-9(7)15-12(20)16(5-10(14)17)6-11(18)19/h2-4H,5-6H2,1H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyFSIFQYNQEWHXEM-UHFFFAOYSA-N
XLogP1.05
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid
CID 107439466
2-[(2-amino-2-oxoethyl)-[(2-methyl-3-pyridinyl)carbamoyl]amino]acetic acid
CID 107438962
2-[(2-amino-2-oxoethyl)-[[2-(methoxymethyl)phenyl]carbamoyl]amino]acetic acid
CID 107438314
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
2-[(2-amino-2-oxoethyl)-[(2-cyano-3-fluorophenyl)carbamoyl]amino]acetic acid
CID 107438042
N-(3-chloro-2-methylphenyl)-2-methylbutanediamide
CID 82120222
3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890389
2-[(2-amino-2-oxoethyl)-[(2-bromo-5-methylphenyl)carbamoyl]amino]acetic acid
CID 107439128
2-[(2-amino-2-oxoethyl)-[(2-chloro-4-cyanophenyl)carbamoyl]amino]acetic acid
CID 107809366
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-[(2-amino-2-oxoethyl)-[(3,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 107437614
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43466013

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid (CID 107437366) is 2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid is Cc1c(Cl)cccc1NC(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is FSIFQYNQEWHXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O4/c1-7-8(13)3-2-4-9(7)15-12(20)16(5-10(14)17)6-11(18)19/h2-4H,5-6H2,1H3,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 299.71 g/mol, XLogP of 1.05, 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-chloro-2-methylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 107437366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).