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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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).