2-cyanoethyl(ethyl)carbamic acid

C6H10N2O2 — CID 18786016

IUPAC2-cyanoethyl(ethyl)carbamic acid
SMILESCCN(CCC#N)C(=O)O
InChIInChI=1S/C6H10N2O2/c1-2-8(6(9)10)5-3-4-7/h2-3,5H2,1H3,(H,9,10)
InChIKeySKNKTNNTIXDTTA-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.90
Rot. Bonds3

About 2-cyanoethyl(ethyl)carbamic acid

2-cyanoethyl(ethyl)carbamic acid (PubChem CID 18786016) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-cyanoethyl(ethyl)carbamic acid.

Molecular Properties

Compound Name2-cyanoethyl(ethyl)carbamic acid
PubChem CID18786016
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-cyanoethyl(ethyl)carbamic acid
SMILESCCN(CCC#N)C(=O)O
InChIInChI=1S/C6H10N2O2/c1-2-8(6(9)10)5-3-4-7/h2-3,5H2,1H3,(H,9,10)
InChIKeySKNKTNNTIXDTTA-UHFFFAOYSA-N
XLogP0.90
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyanoethyl(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

(2S)-2-amino-N-(2-cyanoethyl)-N-ethylpropanamide
CID 61148414
N-(2-cyanoethyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309842
N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
CID 62589868
(2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide
CID 79012369
N-(2-cyanoethyl)-N-ethylheptanamide
CID 115610951
ethyl(2-hydroxyethyl)carbamic acid
CID 23202017
5-[2-cyanoethyl(ethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688228
2-[[2-cyanoethyl(ethyl)carbamoyl]amino]pentanoic acid
CID 54988162
1-cyano-N-(2-cyanoethyl)-N-ethylcyclobutane-1-carboxamide
CID 80599118
N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
CID 15084880
N,N-bis(2-cyanoethyl)-2-(dipropylamino)acetamide
CID 21354456
N,N-bis(2-cyanoethyl)-2-methylbutanamide
CID 4627836

Frequently Asked Questions

What is the IUPAC name of 2-cyanoethyl(ethyl)carbamic acid?
The IUPAC name of 2-cyanoethyl(ethyl)carbamic acid (CID 18786016) is 2-cyanoethyl(ethyl)carbamic acid.
What is the SMILES notation for 2-cyanoethyl(ethyl)carbamic acid?
The canonical SMILES for 2-cyanoethyl(ethyl)carbamic acid is CCN(CCC#N)C(=O)O.
What is the InChIKey of 2-cyanoethyl(ethyl)carbamic acid?
The InChIKey is SKNKTNNTIXDTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-8(6(9)10)5-3-4-7/h2-3,5H2,1H3,(H,9,10).
What are the key properties of 2-cyanoethyl(ethyl)carbamic acid?
2-cyanoethyl(ethyl)carbamic acid has a molecular weight of 142.16 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethyl(ethyl)carbamic acid is sourced from PubChem (CID 18786016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).