ethoxycarbonyl(ethyl)carbamic acid

C6H11NO4 — CID 54008560

IUPACethoxycarbonyl(ethyl)carbamic acid
SMILESCCOC(=O)N(CC)C(=O)O
InChIInChI=1S/C6H11NO4/c1-3-7(5(8)9)6(10)11-4-2/h3-4H2,1-2H3,(H,8,9)
InChIKeyMSNWTHKSWROLPJ-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.14
Rot. Bonds2

About ethoxycarbonyl(ethyl)carbamic acid

ethoxycarbonyl(ethyl)carbamic acid (PubChem CID 54008560) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is ethoxycarbonyl(ethyl)carbamic acid.

Molecular Properties

Compound Nameethoxycarbonyl(ethyl)carbamic acid
PubChem CID54008560
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Nameethoxycarbonyl(ethyl)carbamic acid
SMILESCCOC(=O)N(CC)C(=O)O
InChIInChI=1S/C6H11NO4/c1-3-7(5(8)9)6(10)11-4-2/h3-4H2,1-2H3,(H,8,9)
InChIKeyMSNWTHKSWROLPJ-UHFFFAOYSA-N
XLogP1.14
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethoxycarbonyl(ethyl)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

ethyl N-ethyl-N-(methylcarbamoyl)carbamate
CID 165094929
ethyl N,N-diaminocarbamate
CID 54365685
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride
CID 174331184
3-[ethoxycarbonyl(ethyl)amino]propanoic acid
CID 22758760
ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466
dichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate
CID 158006083
ethyl N-acetyl-N-ethoxycarbonylcarbamate
CID 4688283
ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate
CID 86250669
ethyl N-propanoyl-N-prop-2-enylcarbamate
CID 19738530
3-[ethoxycarbonyl(methyl)amino]-2-methylbutanoic acid
CID 175073944
ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate
CID 160936795

Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyl(ethyl)carbamic acid?
The IUPAC name of ethoxycarbonyl(ethyl)carbamic acid (CID 54008560) is ethoxycarbonyl(ethyl)carbamic acid.
What is the SMILES notation for ethoxycarbonyl(ethyl)carbamic acid?
The canonical SMILES for ethoxycarbonyl(ethyl)carbamic acid is CCOC(=O)N(CC)C(=O)O.
What is the InChIKey of ethoxycarbonyl(ethyl)carbamic acid?
The InChIKey is MSNWTHKSWROLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3-7(5(8)9)6(10)11-4-2/h3-4H2,1-2H3,(H,8,9).
What are the key properties of ethoxycarbonyl(ethyl)carbamic acid?
ethoxycarbonyl(ethyl)carbamic acid has a molecular weight of 161.16 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonyl(ethyl)carbamic acid is sourced from PubChem (CID 54008560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).