2-[(2-acetylphenyl)carbamoylamino]acetic acid

C11H12N2O4 — CID 39733019

IUPAC2-[(2-acetylphenyl)carbamoylamino]acetic acid
SMILESCC(=O)c1ccccc1NC(=O)NCC(=O)O
InChIInChI=1S/C11H12N2O4/c1-7(14)8-4-2-3-5-9(8)13-11(17)12-6-10(15)16/h2-5H,6H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyMWJYWYGNKBLIRW-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.10
Rot. Bonds4

About 2-[(2-acetylphenyl)carbamoylamino]acetic acid

2-[(2-acetylphenyl)carbamoylamino]acetic acid (PubChem CID 39733019) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-[(2-acetylphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-acetylphenyl)carbamoylamino]acetic acid
PubChem CID39733019
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-[(2-acetylphenyl)carbamoylamino]acetic acid
SMILESCC(=O)c1ccccc1NC(=O)NCC(=O)O
InChIInChI=1S/C11H12N2O4/c1-7(14)8-4-2-3-5-9(8)13-11(17)12-6-10(15)16/h2-5H,6H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyMWJYWYGNKBLIRW-UHFFFAOYSA-N
XLogP1.10
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxyphenyl)carbamoylamino]acetic acid
CID 19894710
2-(2-acetylanilino)acetic acid;methanamine
CID 69423543
2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 61181463
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate
CID 12735876
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
2-(2-acetylanilino)-N-phenylacetamide
CID 9103782
N-(2-acetylphenyl)-2-propylpentanamide
CID 113329842
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248794
N-(2-acetylphenyl)-2-(benzhydrylamino)acetamide
CID 7971269
(Z)-4-(2-acetylanilino)-4-oxobut-2-enoic acid
CID 6364927
2-[(2-cyano-3-methylphenyl)carbamoylamino]acetic acid
CID 107799973

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetylphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(2-acetylphenyl)carbamoylamino]acetic acid (CID 39733019) is 2-[(2-acetylphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(2-acetylphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(2-acetylphenyl)carbamoylamino]acetic acid is CC(=O)c1ccccc1NC(=O)NCC(=O)O.
What is the InChIKey of 2-[(2-acetylphenyl)carbamoylamino]acetic acid?
The InChIKey is MWJYWYGNKBLIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-7(14)8-4-2-3-5-9(8)13-11(17)12-6-10(15)16/h2-5H,6H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-[(2-acetylphenyl)carbamoylamino]acetic acid?
2-[(2-acetylphenyl)carbamoylamino]acetic acid has a molecular weight of 236.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetylphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 39733019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).