3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid

C12H14N2O5 — CID 66166879

IUPAC3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid
SMILESCC(=O)c1ccc(NC(=O)NCC(O)C(=O)O)cc1
InChIInChI=1S/C12H14N2O5/c1-7(15)8-2-4-9(5-3-8)14-12(19)13-6-10(16)11(17)18/h2-5,10,16H,6H2,1H3,(H,17,18)(H2,13,14,19)
InChIKeyBKWCEWGNANBOOA-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.46
Rot. Bonds5

About 3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid

3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid (PubChem CID 66166879) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid
PubChem CID66166879
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid
SMILESCC(=O)c1ccc(NC(=O)NCC(O)C(=O)O)cc1
InChIInChI=1S/C12H14N2O5/c1-7(15)8-2-4-9(5-3-8)14-12(19)13-6-10(16)11(17)18/h2-5,10,16H,6H2,1H3,(H,17,18)(H2,13,14,19)
InChIKeyBKWCEWGNANBOOA-UHFFFAOYSA-N
XLogP0.46
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea
CID 66175411
(2S)-3-[(4-bromophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107838136
3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167760
1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 38283937
(2S)-2-hydroxy-3-[(6-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107840624
1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 42960513
3-[(3-bromo-4-methylphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167165
3-[(3,4-dimethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167135
1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709881
4-(2-methylpropylcarbamoylamino)benzoic acid
CID 39732866
1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030
4-[(4-acetylphenyl)carbamoylamino]butanoic acid
CID 28511845

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid (CID 66166879) is 3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid is CC(=O)c1ccc(NC(=O)NCC(O)C(=O)O)cc1.
What is the InChIKey of 3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid?
The InChIKey is BKWCEWGNANBOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-7(15)8-2-4-9(5-3-8)14-12(19)13-6-10(16)11(17)18/h2-5,10,16H,6H2,1H3,(H,17,18)(H2,13,14,19).
What are the key properties of 3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid?
3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid has a molecular weight of 266.25 g/mol, XLogP of 0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66166879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).