4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

C14H25NO3 — CID 114391356

IUPAC4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCCC(C)(C)NC(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C14H25NO3/c1-5-6-14(3,4)15-12(16)10-7-9(2)8-11(10)13(17)18/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyBWGOMTSBSUCPQT-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.43
Rot. Bonds5

About 4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114391356) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114391356
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCCC(C)(C)NC(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C14H25NO3/c1-5-6-14(3,4)15-12(16)10-7-9(2)8-11(10)13(17)18/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyBWGOMTSBSUCPQT-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092992
2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391355
cis-(1R,2S)-2-(3-ethylpentan-3-ylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114092465
4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide
CID 115747606
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114093176
N-(4-hydroxy-2-methylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 115870127
2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113471946
3-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551222
4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114391167
3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119763282
2-(2-methylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43529282
(1S,6R)-6-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962747

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114391356) is 4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is CCCC(C)(C)NC(=O)C1CC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is BWGOMTSBSUCPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-6-14(3,4)15-12(16)10-7-9(2)8-11(10)13(17)18/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpentan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).