2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid

C13H22N2O3 — CID 106191220

IUPAC2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid
SMILESCC(C)=CCNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H22N2O3/c1-10(2)5-8-14-12(18)15-13(9-11(16)17)6-3-4-7-13/h5H,3-4,6-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyKBLVVFNFLXWXPO-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.04
Rot. Bonds5

About 2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid

2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 106191220) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID106191220
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid
SMILESCC(C)=CCNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H22N2O3/c1-10(2)5-8-14-12(18)15-13(9-11(16)17)6-3-4-7-13/h5H,3-4,6-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyKBLVVFNFLXWXPO-UHFFFAOYSA-N
XLogP2.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
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-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid
CID 114617990
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid
CID 64701993
2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid
CID 64701906
2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
CID 64700433
2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid
CID 64699672
2-[1-(2-methylsulfanylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64701496
2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64701811
2-[1-[2-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64700507
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid
CID 114943589

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid (CID 106191220) is 2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid is CC(C)=CCNC(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is KBLVVFNFLXWXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10(2)5-8-14-12(18)15-13(9-11(16)17)6-3-4-7-13/h5H,3-4,6-9H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid has a molecular weight of 254.33 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-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 106191220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).