2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid

C14H25NO3 — CID 114212381

IUPAC2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCC(C)(C)CCC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-13(2,3)9-7-11(16)15-10-6-5-8-14(10,4)12(17)18/h10H,5-9H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyVJBAZEYLOVLDPE-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds4

About 2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid

2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid (PubChem CID 114212381) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid
PubChem CID114212381
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCC(C)(C)CCC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-13(2,3)9-7-11(16)15-10-6-5-8-14(10,4)12(17)18/h10H,5-9H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyVJBAZEYLOVLDPE-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxypropanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82760761
2-(4-ethoxybutanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82760687
2-[3-(2,2-difluoroethoxy)propanoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 103206218
2-[(3-amino-3-methylbutanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213560
1-methyl-2-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
CID 82765950
cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 124575960
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763720
4-amino-N-(2,2-dimethylcyclopentyl)-4-methylpentanamide
CID 79878624
2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760507
2-[4-(2-aminoethyl)heptanoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763950
2-(5-aminohexanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214456

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid (CID 114212381) is 2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid is CC(C)(C)CCC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is VJBAZEYLOVLDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)9-7-11(16)15-10-6-5-8-14(10,4)12(17)18/h10H,5-9H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid?
2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114212381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).