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

C15H28N2O4 — CID 102962215

IUPAC6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC1CCN(C(=O)NCCC(C)(C)CCC(=O)O)CC1O
InChIInChI=1S/C15H28N2O4/c1-11-5-9-17(10-12(11)18)14(21)16-8-7-15(2,3)6-4-13(19)20/h11-12,18H,4-10H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyJUMVCSKUHPVVET-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.68
Rot. Bonds6

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

6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 102962215) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
PubChem CID102962215
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC1CCN(C(=O)NCCC(C)(C)CCC(=O)O)CC1O
InChIInChI=1S/C15H28N2O4/c1-11-5-9-17(10-12(11)18)14(21)16-8-7-15(2,3)6-4-13(19)20/h11-12,18H,4-10H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyJUMVCSKUHPVVET-UHFFFAOYSA-N
XLogP1.68
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 79180887
6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65289949
6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65289367
6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65290004
3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 122017885
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 114679485
4,4-dimethyl-6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 65287791
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid
CID 114679610
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 102961867
3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 102962213
5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 102962024
6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid
CID 83147001

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid (CID 102962215) is 6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid is CC1CCN(C(=O)NCCC(C)(C)CCC(=O)O)CC1O.
What is the InChIKey of 6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is JUMVCSKUHPVVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11-5-9-17(10-12(11)18)14(21)16-8-7-15(2,3)6-4-13(19)20/h11-12,18H,4-10H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 102962215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).