2-(cyclohexylidenemethylcarbamoylamino)acetic acid

C10H16N2O3 — CID 108912438

IUPAC2-(cyclohexylidenemethylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NC=C1CCCCC1
InChIInChI=1S/C10H16N2O3/c13-9(14)7-12-10(15)11-6-8-4-2-1-3-5-8/h6H,1-5,7H2,(H,13,14)(H2,11,12,15)
InChIKeyWOBQRPOQZDBHIB-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.22
Rot. Bonds3

About 2-(cyclohexylidenemethylcarbamoylamino)acetic acid

2-(cyclohexylidenemethylcarbamoylamino)acetic acid (PubChem CID 108912438) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(cyclohexylidenemethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-(cyclohexylidenemethylcarbamoylamino)acetic acid
PubChem CID108912438
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(cyclohexylidenemethylcarbamoylamino)acetic acid
SMILESO=C(O)CNC(=O)NC=C1CCCCC1
InChIInChI=1S/C10H16N2O3/c13-9(14)7-12-10(15)11-6-8-4-2-1-3-5-8/h6H,1-5,7H2,(H,13,14)(H2,11,12,15)
InChIKeyWOBQRPOQZDBHIB-UHFFFAOYSA-N
XLogP1.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylidenemethyl)-3-propylurea
CID 108912374
2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid
CID 108912522
1-(cyclopentylidenemethyl)-3-(5-hydroxypentyl)urea
CID 108913619
1-(cyclopentylidenemethyl)-3-[2-(dimethylamino)ethyl]urea
CID 108913658
1-(cyclohexylidenemethyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108912681
1-[2-(4-bromophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912711
1-cyclododecyl-3-(cyclohexylidenemethyl)urea
CID 108912488
1-cyclododecyl-3-(cyclopentylidenemethyl)urea
CID 108913552
1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea
CID 108912362
1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea
CID 108912618
1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108913488
1-(cyclohexylidenemethyl)-3-(2-methylphenyl)urea
CID 108912377

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethylcarbamoylamino)acetic acid?
The IUPAC name of 2-(cyclohexylidenemethylcarbamoylamino)acetic acid (CID 108912438) is 2-(cyclohexylidenemethylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-(cyclohexylidenemethylcarbamoylamino)acetic acid?
The canonical SMILES for 2-(cyclohexylidenemethylcarbamoylamino)acetic acid is O=C(O)CNC(=O)NC=C1CCCCC1.
What is the InChIKey of 2-(cyclohexylidenemethylcarbamoylamino)acetic acid?
The InChIKey is WOBQRPOQZDBHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9(14)7-12-10(15)11-6-8-4-2-1-3-5-8/h6H,1-5,7H2,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(cyclohexylidenemethylcarbamoylamino)acetic acid?
2-(cyclohexylidenemethylcarbamoylamino)acetic acid has a molecular weight of 212.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethylcarbamoylamino)acetic acid is sourced from PubChem (CID 108912438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).