3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

C14H25NO3 — CID 103550328

IUPAC3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CC(C)N(C)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-9(2)7-10(3)15(4)13(16)11-5-6-12(8-11)14(17)18/h9-12H,5-8H2,1-4H3,(H,17,18)
InChIKeyBMQNLNIUULQPLF-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.38
Rot. Bonds5

About 3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550328) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550328
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CC(C)N(C)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-9(2)7-10(3)15(4)13(16)11-5-6-12(8-11)14(17)18/h9-12H,5-8H2,1-4H3,(H,17,18)
InChIKeyBMQNLNIUULQPLF-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551106
3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549901
3-[butan-2-yl(ethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549713
3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55234824
3-amino-N,2-dimethyl-N-(4-methylpentan-2-yl)cyclohexane-1-carboxamide
CID 55115501
N-(1-hydroxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 115765115
3-[butan-2-yl(butyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550345
3-[methyl(2-methylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63789915
3-[2-hydroxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784368
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
3-[methyl-(2-methyloxane-4-carbonyl)amino]butanoic acid
CID 110835666
4-[1-(dimethylamino)-3-methylbutyl]cyclohexane-1-carboxylic acid
CID 116908461

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550328) is 3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is CC(C)CC(C)N(C)C(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is BMQNLNIUULQPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-9(2)7-10(3)15(4)13(16)11-5-6-12(8-11)14(17)18/h9-12H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(4-methylpentan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).