1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid

C17H28N2O4 — CID 119175764

IUPAC1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C17H28N2O4/c1-12(18-15(20)11-13-7-3-2-4-8-13)16(21)19-10-6-5-9-14(19)17(22)23/h12-14H,2-11H2,1H3,(H,18,20)(H,22,23)
InChIKeyGEEDQNQMUCGINH-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.93
Rot. Bonds5

About 1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid

1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid (PubChem CID 119175764) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid
PubChem CID119175764
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C17H28N2O4/c1-12(18-15(20)11-13-7-3-2-4-8-13)16(21)19-10-6-5-9-14(19)17(22)23/h12-14H,2-11H2,1H3,(H,18,20)(H,22,23)
InChIKeyGEEDQNQMUCGINH-UHFFFAOYSA-N
XLogP1.93
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-(ethylamino)-2-methylpropanoyl]azepane-2-carboxylic acid
CID 64564263
2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119473107
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
2-cyclopentyl-N-[(2R)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
CID 95153781
(2S)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61137826
(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71419442
(2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 13343615
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]azepane-2-carboxylic acid
CID 103112488

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid (CID 119175764) is 1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid is CC(NC(=O)CC1CCCCC1)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid?
The InChIKey is GEEDQNQMUCGINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-12(18-15(20)11-13-7-3-2-4-8-13)16(21)19-10-6-5-9-14(19)17(22)23/h12-14H,2-11H2,1H3,(H,18,20)(H,22,23).
What are the key properties of 1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid?
1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid has a molecular weight of 324.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119175764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).