3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

C13H23NO3 — CID 103549901

IUPAC3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(CC)N(C)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-4-11(5-2)14(3)12(15)9-6-7-10(8-9)13(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyTXNLVWZMCQWQAZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.13
Rot. Bonds5

About 3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103549901) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103549901
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC(CC)N(C)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-4-11(5-2)14(3)12(15)9-6-7-10(8-9)13(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyTXNLVWZMCQWQAZ-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550328
3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551106
3-[butan-2-yl(ethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549713
6-[methyl(pentan-3-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 43570957
N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202146
3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550345
3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63789915
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
4-amino-N,2-dimethyl-N-pentan-3-ylcyclohexane-1-carboxamide
CID 62783517
3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55234824
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103549901) is 3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is CCC(CC)N(C)C(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is TXNLVWZMCQWQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-11(5-2)14(3)12(15)9-6-7-10(8-9)13(16)17/h9-11H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103549901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).