3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid

C14H25NO3 — CID 66031744

IUPAC3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(CC(=O)NC1CCC(C(=O)O)C1)C(C)(C)C
InChIInChI=1S/C14H25NO3/c1-9(14(2,3)4)7-12(16)15-11-6-5-10(8-11)13(17)18/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyYNYQEYYTRUPXFS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.43
Rot. Bonds4

About 3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid

3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 66031744) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
PubChem CID66031744
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(CC(=O)NC1CCC(C(=O)O)C1)C(C)(C)C
InChIInChI=1S/C14H25NO3/c1-9(14(2,3)4)7-12(16)15-11-6-5-10(8-11)13(17)18/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyYNYQEYYTRUPXFS-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

N-cyclopropyl-3,4,4-trimethylpentanamide
CID 63820853
cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 120690503
cis-(1S,3R)-3-(3-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
CID 120676482
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide
CID 63833043
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride
CID 119455472
cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
CID 120690552
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
3-(3-methylpentanoylamino)cyclohexane-1-carboxylic acid
CID 114873705
cis-(1R,3S)-3-(3-propan-2-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120678543
cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322997
cis-(1S,3R)-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676145

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid (CID 66031744) is 3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid is CC(CC(=O)NC1CCC(C(=O)O)C1)C(C)(C)C.
What is the InChIKey of 3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is YNYQEYYTRUPXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-9(14(2,3)4)7-12(16)15-11-6-5-10(8-11)13(17)18/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid?
3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).