1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid

C13H23NO3 — CID 120512637

IUPAC1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid
SMILESCCC(C)C(C)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-4-9(2)10(3)12(15)14-7-5-6-11(8-14)13(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyXJCPFWDFYWRYFJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.99
Rot. Bonds4

About 1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid

1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid (PubChem CID 120512637) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid
PubChem CID120512637
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid
SMILESCCC(C)C(C)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H23NO3/c1-4-9(2)10(3)12(15)14-7-5-6-11(8-14)13(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKeyXJCPFWDFYWRYFJ-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
1-(2-ethoxybutanoyl)piperidine-3-carboxylic acid
CID 126790398
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167924
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
(3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid
CID 81119636
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
(3R)-1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylic acid
CID 81118974
1-[2-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 119167781
(3S)-1-(3-cyclohexyl-2-methylpropanoyl)piperidine-3-carboxylic acid
CID 119173789

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid (CID 120512637) is 1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid is CCC(C)C(C)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid?
The InChIKey is XJCPFWDFYWRYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-9(2)10(3)12(15)14-7-5-6-11(8-14)13(16)17/h9-11H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid?
1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 120512637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).