4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid

C12H22N2O3 — CID 82682716

IUPAC4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-10(5-6-11(15)16)9-13-12(17)14-7-3-2-4-8-14/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyZETQEDXRMKCVJI-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.68
Rot. Bonds5

About 4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid

4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid (PubChem CID 82682716) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
PubChem CID82682716
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-10(5-6-11(15)16)9-13-12(17)14-7-3-2-4-8-14/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyZETQEDXRMKCVJI-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-[(4-methyl-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 82688949
4-methyl-5-[(4-propan-2-ylazepane-1-carbonyl)amino]pentanoic acid
CID 82014265
4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 82682847
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 106670569
5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013036
5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013484
5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 82013959
N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide
CID 115302691
4-methyl-5-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 113418247
4-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pentanoic acid
CID 106315845
5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 103357258
3-(azocane-1-carbonylamino)-2-methylpropanoic acid
CID 62669756

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid?
The IUPAC name of 4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid (CID 82682716) is 4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid?
The canonical SMILES for 4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid is CC(CCC(=O)O)CNC(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid?
The InChIKey is ZETQEDXRMKCVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10(5-6-11(15)16)9-13-12(17)14-7-3-2-4-8-14/h10H,2-9H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid?
4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid is sourced from PubChem (CID 82682716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).