6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid

C13H24N2O3 — CID 104596546

IUPAC6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid
SMILESCC1(C(=O)NCCCCCC(=O)O)CCCCN1
InChIInChI=1S/C13H24N2O3/c1-13(8-4-6-10-15-13)12(18)14-9-5-2-3-7-11(16)17/h15H,2-10H2,1H3,(H,14,18)(H,16,17)
InChIKeyWSWKAZPHUKDLFY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.28
Rot. Bonds7

About 6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid

6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid (PubChem CID 104596546) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid
PubChem CID104596546
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid
SMILESCC1(C(=O)NCCCCCC(=O)O)CCCCN1
InChIInChI=1S/C13H24N2O3/c1-13(8-4-6-10-15-13)12(18)14-9-5-2-3-7-11(16)17/h15H,2-10H2,1H3,(H,14,18)(H,16,17)
InChIKeyWSWKAZPHUKDLFY-UHFFFAOYSA-N
XLogP1.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 104596542
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid
CID 63131790
N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide
CID 113368586
N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596637
N-but-3-ynyl-2-methylpiperidine-2-carboxamide
CID 104596852
2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate
CID 104597200
2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 104596692
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
CID 126976149
1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 104597132
3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 103156961
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid (CID 104596546) is 6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid is CC1(C(=O)NCCCCCC(=O)O)CCCCN1.
What is the InChIKey of 6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid?
The InChIKey is WSWKAZPHUKDLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(8-4-6-10-15-13)12(18)14-9-5-2-3-7-11(16)17/h15H,2-10H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid?
6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 104596546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).