6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid

C13H24N2O4 — CID 114679485

IUPAC6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid
SMILESCC1CN(C(=O)NCCCCCC(=O)O)CCC1O
InChIInChI=1S/C13H24N2O4/c1-10-9-15(8-6-11(10)16)13(19)14-7-4-2-3-5-12(17)18/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyLAODQLUYUAETIV-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.04
Rot. Bonds6

About 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid

6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid (PubChem CID 114679485) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid
PubChem CID114679485
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid
SMILESCC1CN(C(=O)NCCCCCC(=O)O)CCC1O
InChIInChI=1S/C13H24N2O4/c1-10-9-15(8-6-11(10)16)13(19)14-7-4-2-3-5-12(17)18/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyLAODQLUYUAETIV-UHFFFAOYSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.04
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

6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid
CID 114679610
6-[(4-ethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 61421416
7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 61421852
7-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]heptanoic acid
CID 114799037
4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 114679498
6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)hexanoic acid
CID 66372266
7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid
CID 106836825
7-[(4,4-dimethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 62931364
4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 61187052
3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 114679546
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
4-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]butanoic acid
CID 81475356

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid (CID 114679485) is 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid is CC1CN(C(=O)NCCCCCC(=O)O)CCC1O.
What is the InChIKey of 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid?
The InChIKey is LAODQLUYUAETIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10-9-15(8-6-11(10)16)13(19)14-7-4-2-3-5-12(17)18/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid?
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 114679485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).