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

C14H26N2O4 — CID 114679610

IUPAC6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)N1CCC(O)C(C)C1)CCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-10(3-4-13(18)19)5-7-15-14(20)16-8-6-12(17)11(2)9-16/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeySOVXGKGKYYEGDE-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.29
Rot. Bonds6

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

6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid (PubChem CID 114679610) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid
PubChem CID114679610
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid
SMILESCC(CCNC(=O)N1CCC(O)C(C)C1)CCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-10(3-4-13(18)19)5-7-15-14(20)16-8-6-12(17)11(2)9-16/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeySOVXGKGKYYEGDE-UHFFFAOYSA-N
XLogP1.29
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 114679498
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 114679485
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-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 82682847
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 106670569
3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 114679546
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
6-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylhexanoic acid
CID 66062218
4-[2-[(3-methoxypyrrolidine-1-carbonyl)amino]ethyl]-5-methylhexanoic acid
CID 103536320
(2S)-2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 104940992
6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 102962215

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid?
The IUPAC name of 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid (CID 114679610) is 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid is CC(CCNC(=O)N1CCC(O)C(C)C1)CCC(=O)O.
What is the InChIKey of 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid?
The InChIKey is SOVXGKGKYYEGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(3-4-13(18)19)5-7-15-14(20)16-8-6-12(17)11(2)9-16/h10-12,17H,3-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid?
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.29, 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]-4-methylhexanoic acid is sourced from PubChem (CID 114679610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).