1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid

C10H18N2O3 — CID 43163266

IUPAC1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(N)=O)(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-2-7-3-5-10(6-4-7,8(13)14)12-9(11)15/h7H,2-6H2,1H3,(H,13,14)(H3,11,12,15)
InChIKeyCNKRTFBUZUOJSR-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.08
Rot. Bonds3

About 1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid

1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 43163266) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
PubChem CID43163266
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(N)=O)(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-2-7-3-5-10(6-4-7,8(13)14)12-9(11)15/h7H,2-6H2,1H3,(H,13,14)(H3,11,12,15)
InChIKeyCNKRTFBUZUOJSR-UHFFFAOYSA-N
XLogP1.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic 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

1-[2-(carbamoylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 83113849
4-ethyl-1-(2-methylpropoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 43163264
4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 62845996
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61195802
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491
1-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 103870909
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600
1-(cyclopropylsulfonylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 64552398
4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61186572
4-ethyl-1-(2-methylpropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 60710261
1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61160800
1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 82758308

Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid (CID 43163266) is 1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(NC(N)=O)(C(=O)O)CC1.
What is the InChIKey of 1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is CNKRTFBUZUOJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-7-3-5-10(6-4-7,8(13)14)12-9(11)15/h7H,2-6H2,1H3,(H,13,14)(H3,11,12,15).
What are the key properties of 1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid?
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43163266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).