2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid

C17H29NO3 — CID 104595515

IUPAC2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid
SMILESCC(C)CC1(C(=O)N2CCCCC2(C)C(=O)O)CCCC1
InChIInChI=1S/C17H29NO3/c1-13(2)12-17(9-4-5-10-17)14(19)18-11-7-6-8-16(18,3)15(20)21/h13H,4-12H2,1-3H3,(H,20,21)
InChIKeyYKQTXQZLIUEVAI-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.45
Rot. Bonds4

About 2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid

2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid (PubChem CID 104595515) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid
PubChem CID104595515
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid
SMILESCC(C)CC1(C(=O)N2CCCCC2(C)C(=O)O)CCCC1
InChIInChI=1S/C17H29NO3/c1-13(2)12-17(9-4-5-10-17)14(19)18-11-7-6-8-16(18,3)15(20)21/h13H,4-12H2,1-3H3,(H,20,21)
InChIKeyYKQTXQZLIUEVAI-UHFFFAOYSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343
2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid
CID 115270713
2-methyl-1-[3-(propan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 113430915
1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431043
1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid
CID 103513470
1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595518
[4-(aminomethyl)-4-methylpiperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone
CID 107160172
N,N-dimethyl-4-[1-(2-methylpropyl)cyclopentanecarbonyl]piperazine-1-carboxamide
CID 75425461
2-methyl-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 113472972
2-methyl-1-(3-methylpentan-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104598027
2-methyl-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-2-carboxylic acid
CID 104597937

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid (CID 104595515) is 2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid is CC(C)CC1(C(=O)N2CCCCC2(C)C(=O)O)CCCC1.
What is the InChIKey of 2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid?
The InChIKey is YKQTXQZLIUEVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13(2)12-17(9-4-5-10-17)14(19)18-11-7-6-8-16(18,3)15(20)21/h13H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid?
2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 104595515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).