1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid

C19H32N2O4 — CID 97324533

IUPAC1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESC[C@@H](CC1CCCCC1)C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H32N2O4/c1-14(12-15-6-4-3-5-7-15)18(23)20(2)13-17(22)21-10-8-16(9-11-21)19(24)25/h14-16H,3-13H2,1-2H3,(H,24,25)/t14-/m0/s1
InChIKeyQIAMUHOHGWWDPU-AWEZNQCLSA-N
MW352.48 g/mol
LogP2.37
Rot. Bonds6

About 1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 97324533) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID97324533
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
SMILESC[C@@H](CC1CCCCC1)C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C19H32N2O4/c1-14(12-15-6-4-3-5-7-15)18(23)20(2)13-17(22)21-10-8-16(9-11-21)19(24)25/h14-16H,3-13H2,1-2H3,(H,24,25)/t14-/m0/s1
InChIKeyQIAMUHOHGWWDPU-AWEZNQCLSA-N
XLogP2.37
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236201
1-[2-[2-(cyclopentanecarbonylamino)propanoyl-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236335
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
1-[2-[4-cyclopentylbutanoyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236283
1-[2-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236385
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
1-[2-[2,4-dimethylpent-4-enoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid
CID 120689284
(3S)-1-(3-cyclohexyl-2-methylpropanoyl)piperidine-3-carboxylic acid
CID 119173789
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid
CID 103189745
1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid
CID 122508236
1-[2-[methyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235962
2-(dimethylamino)-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone
CID 59001118

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid (CID 97324533) is 1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid is C[C@@H](CC1CCCCC1)C(=O)N(C)CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is QIAMUHOHGWWDPU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-14(12-15-6-4-3-5-7-15)18(23)20(2)13-17(22)21-10-8-16(9-11-21)19(24)25/h14-16H,3-13H2,1-2H3,(H,24,25)/t14-/m0/s1.
What are the key properties of 1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 352.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 97324533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).