[2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid

C10H12N2O5 — CID 66863409

IUPAC[2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid
SMILESO=C(O)NNC(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C10H12N2O5/c13-8-3-1-7(2-4-8)5-6-17-10(16)12-11-9(14)15/h1-4,11,13H,5-6H2,(H,12,16)(H,14,15)
InChIKeyNAZCCTQHAUGMHI-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.84
Rot. Bonds3

About [2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid

[2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid (PubChem CID 66863409) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is [2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid.

Molecular Properties

Compound Name[2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid
PubChem CID66863409
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Name[2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid
SMILESO=C(O)NNC(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C10H12N2O5/c13-8-3-1-7(2-4-8)5-6-17-10(16)12-11-9(14)15/h1-4,11,13H,5-6H2,(H,12,16)(H,14,15)
InChIKeyNAZCCTQHAUGMHI-UHFFFAOYSA-N
XLogP0.84
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[2-(4-hydroxyphenyl)ethoxycarbonylamino]oxy-3-phenylpropanoic acid
CID 163240313
2-(4-hydroxyphenyl)ethyl 2-phenylacetate
CID 24850763
ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
CID 162013248
2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate
CID 163078675
2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate
CID 58446609
2-phenylethyl 4-hydroxybenzoate
CID 11977778
5-[2-(4-hydroxyphenyl)ethoxy]-3-[(2-methoxy-2-oxoacetyl)amino]-5-oxopentanoic acid
CID 25161267
2-(4-hydroxyphenyl)ethyl pentanoate
CID 54186146
2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate
CID 139593761
2-phenylethyl N-carbamoylcarbamate
CID 3027882
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
(4-hydroxyphenyl)methyl hydrogen carbonate
CID 19956654

Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid?
The IUPAC name of [2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid (CID 66863409) is [2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid.
What is the SMILES notation for [2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid?
The canonical SMILES for [2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid is O=C(O)NNC(=O)OCCc1ccc(O)cc1.
What is the InChIKey of [2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid?
The InChIKey is NAZCCTQHAUGMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c13-8-3-1-7(2-4-8)5-6-17-10(16)12-11-9(14)15/h1-4,11,13H,5-6H2,(H,12,16)(H,14,15).
What are the key properties of [2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid?
[2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid has a molecular weight of 240.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid is sourced from PubChem (CID 66863409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).