4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid

C13H24N2O3 — CID 82682847

IUPAC4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CCCC(C)C1
InChIInChI=1S/C13H24N2O3/c1-10(5-6-12(16)17)8-14-13(18)15-7-3-4-11(2)9-15/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyRQHSTASTUVQYAH-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.93
Rot. Bonds5

About 4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid

4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid (PubChem CID 82682847) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid
PubChem CID82682847
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CCCC(C)C1
InChIInChI=1S/C13H24N2O3/c1-10(5-6-12(16)17)8-14-13(18)15-7-3-4-11(2)9-15/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyRQHSTASTUVQYAH-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 82013959
4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716
4-methyl-5-[(4-propan-2-ylazepane-1-carbonyl)amino]pentanoic acid
CID 82014265
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 106670569
5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013036
4-methyl-5-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 113418247
4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid
CID 82014865
3-methyl-4-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 81069003
4-methyl-5-[(4-methyl-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 82688949
5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013484
4-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pentanoic acid
CID 106315845
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-4-methylpentanoic acid
CID 82014108

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid (CID 82682847) is 4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid is CC(CCC(=O)O)CNC(=O)N1CCCC(C)C1.
What is the InChIKey of 4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is RQHSTASTUVQYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(5-6-12(16)17)8-14-13(18)15-7-3-4-11(2)9-15/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid?
4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 82682847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).