2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid

C11H14N2O4 — CID 61236394

IUPAC2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C11H14N2O4/c14-9-3-1-8(2-4-9)5-6-12-11(17)13-7-10(15)16/h1-4,14H,5-7H2,(H,15,16)(H2,12,13,17)
InChIKeyLFZVWNQPGDFKED-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.32
Rot. Bonds5

About 2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid

2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid (PubChem CID 61236394) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid
PubChem CID61236394
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid
SMILESO=C(O)CNC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C11H14N2O4/c14-9-3-1-8(2-4-9)5-6-12-11(17)13-7-10(15)16/h1-4,14H,5-7H2,(H,15,16)(H2,12,13,17)
InChIKeyLFZVWNQPGDFKED-UHFFFAOYSA-N
XLogP0.32
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-hydroxyphenyl)ethyl]-3-octadecylurea
CID 18183924
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
1-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-3-ylethyl)urea;N-methylmethanamine
CID 145230148
1-[2-(4-hydroxyphenyl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71868421
N-[3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 172913635
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-N,N'-bis[2-(4-hydroxyphenyl)ethyl]hexanediamide
CID 91262549
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
CID 18183954
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid?
The IUPAC name of 2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid (CID 61236394) is 2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid is O=C(O)CNC(=O)NCCc1ccc(O)cc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid?
The InChIKey is LFZVWNQPGDFKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-9-3-1-8(2-4-9)5-6-12-11(17)13-7-10(15)16/h1-4,14H,5-7H2,(H,15,16)(H2,12,13,17).
What are the key properties of 2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid?
2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid has a molecular weight of 238.24 g/mol, XLogP of 0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)ethylcarbamoylamino]acetic acid is sourced from PubChem (CID 61236394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).