4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid

C12H22N2O3 — CID 82688811

IUPAC4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C1CCCCN1
InChIInChI=1S/C12H22N2O3/c1-9(5-6-11(15)16)8-14-12(17)10-4-2-3-7-13-10/h9-10,13H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyUMCXVZKWNHYMDW-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.75
Rot. Bonds6

About 4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid

4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid (PubChem CID 82688811) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid
PubChem CID82688811
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)C1CCCCN1
InChIInChI=1S/C12H22N2O3/c1-9(5-6-11(15)16)8-14-12(17)10-4-2-3-7-13-10/h9-10,13H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyUMCXVZKWNHYMDW-UHFFFAOYSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-[[(2R)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 104901378
3-(azepane-2-carbonylamino)-2-methylpropanoic acid
CID 64569148
3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644
4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914026
(2S)-N-(2-methoxypropyl)piperidine-2-carboxamide
CID 102695060
N-(2-aminopropyl)piperidine-2-carboxamide;hydrochloride
CID 130685962
(3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid
CID 103869655
(2R)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-2-carboxamide
CID 103814027
N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-2-carboxamide;dihydrochloride
CID 119857772
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
(2R)-N-(2-hydroxypentyl)piperidine-2-carboxamide
CID 103811163
(2R)-N-(2-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 103812099

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid?
The IUPAC name of 4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid (CID 82688811) is 4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid?
The canonical SMILES for 4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid is CC(CCC(=O)O)CNC(=O)C1CCCCN1.
What is the InChIKey of 4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid?
The InChIKey is UMCXVZKWNHYMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(5-6-11(15)16)8-14-12(17)10-4-2-3-7-13-10/h9-10,13H,2-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid?
4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 82688811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).