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

C15H27NO3 — CID 114391108

IUPAC4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC(C)CC(C)NC(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-5-9(2)6-11(4)16-14(17)12-7-10(3)8-13(12)15(18)19/h9-13H,5-8H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyDWDAMINSJXTZGB-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.67
Rot. Bonds6

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

4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 114391108) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID114391108
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC(C)CC(C)NC(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-5-9(2)6-11(4)16-14(17)12-7-10(3)8-13(12)15(18)19/h9-13H,5-8H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyDWDAMINSJXTZGB-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 83176642
2-(heptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791589
2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61463679
4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114390822
2-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790622
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114151191
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390830
cis-(1R,2S)-2-[(2-ethyl-4-hydroxybutyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092602
2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60942127
2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868358
4-methyl-2-(1-sulfanylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 139938298

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 114391108) is 4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is CCC(C)CC(C)NC(=O)C1CC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is DWDAMINSJXTZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-9(2)6-11(4)16-14(17)12-7-10(3)8-13(12)15(18)19/h9-13H,5-8H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).