[3-(ethoxycarbonylamino)phenyl]carbamic acid

C10H12N2O4 — CID 12763081

IUPAC[3-(ethoxycarbonylamino)phenyl]carbamic acid
SMILESCCOC(=O)Nc1cccc(NC(=O)O)c1
InChIInChI=1S/C10H12N2O4/c1-2-16-10(15)12-8-5-3-4-7(6-8)11-9(13)14/h3-6,11H,2H2,1H3,(H,12,15)(H,13,14)
InChIKeyYSBHHCBYPMVLHP-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.34
Rot. Bonds3

About [3-(ethoxycarbonylamino)phenyl]carbamic acid

[3-(ethoxycarbonylamino)phenyl]carbamic acid (PubChem CID 12763081) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is [3-(ethoxycarbonylamino)phenyl]carbamic acid.

Molecular Properties

Compound Name[3-(ethoxycarbonylamino)phenyl]carbamic acid
PubChem CID12763081
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name[3-(ethoxycarbonylamino)phenyl]carbamic acid
SMILESCCOC(=O)Nc1cccc(NC(=O)O)c1
InChIInChI=1S/C10H12N2O4/c1-2-16-10(15)12-8-5-3-4-7(6-8)11-9(13)14/h3-6,11H,2H2,1H3,(H,12,15)(H,13,14)
InChIKeyYSBHHCBYPMVLHP-UHFFFAOYSA-N
XLogP2.34
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[3-(2,2-dimethylpropanoylamino)phenyl]carbamate
CID 60723628
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
ethyl N-[3-[(2-fluorobenzoyl)amino]phenyl]carbamate
CID 847946
ethyl N-[3-(2,3-dihydroxypropylamino)phenyl]carbamate
CID 168597581
ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate
CID 46580788
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
[3-(methylamino)phenyl]carbamic acid
CID 66771222
3-[[3-(ethoxycarbonylamino)benzoyl]amino]butanoic acid
CID 146128644

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxycarbonylamino)phenyl]carbamic acid?
The IUPAC name of [3-(ethoxycarbonylamino)phenyl]carbamic acid (CID 12763081) is [3-(ethoxycarbonylamino)phenyl]carbamic acid.
What is the SMILES notation for [3-(ethoxycarbonylamino)phenyl]carbamic acid?
The canonical SMILES for [3-(ethoxycarbonylamino)phenyl]carbamic acid is CCOC(=O)Nc1cccc(NC(=O)O)c1.
What is the InChIKey of [3-(ethoxycarbonylamino)phenyl]carbamic acid?
The InChIKey is YSBHHCBYPMVLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-2-16-10(15)12-8-5-3-4-7(6-8)11-9(13)14/h3-6,11H,2H2,1H3,(H,12,15)(H,13,14).
What are the key properties of [3-(ethoxycarbonylamino)phenyl]carbamic acid?
[3-(ethoxycarbonylamino)phenyl]carbamic acid has a molecular weight of 224.22 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxycarbonylamino)phenyl]carbamic acid is sourced from PubChem (CID 12763081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).