2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid

C14H22N2O3 — CID 79851850

IUPAC2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCC2CC=CCC2)CCC1
InChIInChI=1S/C14H22N2O3/c17-12(18)9-14(7-4-8-14)16-13(19)15-10-11-5-2-1-3-6-11/h1-2,11H,3-10H2,(H,17,18)(H2,15,16,19)
InChIKeyJJQXDLYHFZTYFW-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.04
Rot. Bonds5

About 2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid

2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid (PubChem CID 79851850) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid
PubChem CID79851850
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCC2CC=CCC2)CCC1
InChIInChI=1S/C14H22N2O3/c17-12(18)9-14(7-4-8-14)16-13(19)15-10-11-5-2-1-3-6-11/h1-2,11H,3-10H2,(H,17,18)(H2,15,16,19)
InChIKeyJJQXDLYHFZTYFW-UHFFFAOYSA-N
XLogP2.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 79842476
2-[1-(thiolan-3-ylmethylcarbamoylamino)cyclohexyl]acetic acid
CID 107297576
2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 79851384
1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide
CID 113309488
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[2-(cyclohex-3-en-1-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534233
2-[1-(2-cyclopentylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700859
1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
CID 89090826
4-(cyclohex-3-en-1-ylmethylcarbamoylamino)-4-oxobut-2-enoic acid
CID 76929527
2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid
CID 79851699
cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 114092192
3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65263860

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid (CID 79851850) is 2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)NCC2CC=CCC2)CCC1.
What is the InChIKey of 2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid?
The InChIKey is JJQXDLYHFZTYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-12(18)9-14(7-4-8-14)16-13(19)15-10-11-5-2-1-3-6-11/h1-2,11H,3-10H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid?
2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79851850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).