2-[(4-ethoxyphenyl)carbamoylamino]acetic acid

C11H14N2O4 — CID 12856017

IUPAC2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
SMILESCCOc1ccc(NC(=O)NCC(=O)O)cc1
InChIInChI=1S/C11H14N2O4/c1-2-17-9-5-3-8(4-6-9)13-11(16)12-7-10(14)15/h3-6H,2,7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyZIGRMANTNOGKOM-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.29
Rot. Bonds5

About 2-[(4-ethoxyphenyl)carbamoylamino]acetic acid

2-[(4-ethoxyphenyl)carbamoylamino]acetic acid (PubChem CID 12856017) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
PubChem CID12856017
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
SMILESCCOc1ccc(NC(=O)NCC(=O)O)cc1
InChIInChI=1S/C11H14N2O4/c1-2-17-9-5-3-8(4-6-9)13-11(16)12-7-10(14)15/h3-6H,2,7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyZIGRMANTNOGKOM-UHFFFAOYSA-N
XLogP1.29
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-diethoxyphenyl)carbamoylamino]acetic acid
CID 18072393
3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167760
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea
CID 3823271
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 45434962
1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 95157706
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
N-[(4-ethoxyphenyl)carbamoyl]formamide
CID 174454424
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890846

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)carbamoylamino]acetic acid (CID 12856017) is 2-[(4-ethoxyphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)carbamoylamino]acetic acid is CCOc1ccc(NC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)carbamoylamino]acetic acid?
The InChIKey is ZIGRMANTNOGKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-17-9-5-3-8(4-6-9)13-11(16)12-7-10(14)15/h3-6H,2,7H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-[(4-ethoxyphenyl)carbamoylamino]acetic acid?
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid has a molecular weight of 238.24 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 12856017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).