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

C12H16N2O5 — CID 66167760

IUPAC3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
SMILESCCOc1ccc(NC(=O)NCC(O)C(=O)O)cc1
InChIInChI=1S/C12H16N2O5/c1-2-19-9-5-3-8(4-6-9)14-12(18)13-7-10(15)11(16)17/h3-6,10,15H,2,7H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyIKRXOQQTGXJBNW-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.65
Rot. Bonds6

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

3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid (PubChem CID 66167760) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
PubChem CID66167760
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
SMILESCCOc1ccc(NC(=O)NCC(O)C(=O)O)cc1
InChIInChI=1S/C12H16N2O5/c1-2-19-9-5-3-8(4-6-9)14-12(18)13-7-10(15)11(16)17/h3-6,10,15H,2,7H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyIKRXOQQTGXJBNW-UHFFFAOYSA-N
XLogP0.65
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 95157706
1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea
CID 3823271
1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111430929
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66166879
(2S)-3-[(4-bromophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107838136
1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
CID 95367109
(2S)-2-hydroxy-3-[(6-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107840624
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
3-[(3,4-dimethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167135
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid (CID 66167760) is 3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid is CCOc1ccc(NC(=O)NCC(O)C(=O)O)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid?
The InChIKey is IKRXOQQTGXJBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-2-19-9-5-3-8(4-6-9)14-12(18)13-7-10(15)11(16)17/h3-6,10,15H,2,7H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid?
3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66167760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).