1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid

C13H22N2O3 — CID 106191575

IUPAC1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)=CCNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H22N2O3/c1-9(2)6-8-14-12(18)15-10-5-4-7-13(10,3)11(16)17/h6,10H,4-5,7-8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyUASLVBNWYLHNRC-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.90
Rot. Bonds4

About 1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid

1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 106191575) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID106191575
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)=CCNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H22N2O3/c1-9(2)6-8-14-12(18)15-10-5-4-7-13(10,3)11(16)17/h6,10H,4-5,7-8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyUASLVBNWYLHNRC-UHFFFAOYSA-N
XLogP1.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 106191575) is 1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid is CC(C)=CCNC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is UASLVBNWYLHNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)6-8-14-12(18)15-10-5-4-7-13(10,3)11(16)17/h6,10H,4-5,7-8H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106191575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).