(3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid

C15H25NO4 — CID 99639050

IUPAC(3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid
SMILESCC1CCCC[C@H]1OCC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H25NO4/c1-11-5-2-3-7-13(11)20-10-14(17)16-8-4-6-12(9-16)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)/t11?,12-,13+/m0/s1
InChIKeyOSQPIRUOUZILBX-LWNNLKQOSA-N
MW283.37 g/mol
LogP1.90
Rot. Bonds4

About (3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid

(3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid (PubChem CID 99639050) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid
PubChem CID99639050
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid
SMILESCC1CCCC[C@H]1OCC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H25NO4/c1-11-5-2-3-7-13(11)20-10-14(17)16-8-4-6-12(9-16)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)/t11?,12-,13+/m0/s1
InChIKeyOSQPIRUOUZILBX-LWNNLKQOSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone
CID 111560893
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone
CID 124691199
2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone
CID 124858714
(2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid
CID 119372189
1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 43355934
(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 81118783
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-(2-butoxyacetyl)piperidine-3-carboxylic acid
CID 119167446
1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide
CID 63575068
(3R)-1-(3-methoxy-4-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 102962808
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid (CID 99639050) is (3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid is CC1CCCC[C@H]1OCC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid?
The InChIKey is OSQPIRUOUZILBX-LWNNLKQOSA-N. The full InChI is InChI=1S/C15H25NO4/c1-11-5-2-3-7-13(11)20-10-14(17)16-8-4-6-12(9-16)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)/t11?,12-,13+/m0/s1.
What are the key properties of (3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 99639050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).