(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid

C16H21NO4 — CID 79035326

IUPAC(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(OCCC(=O)N2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C16H21NO4/c1-12-5-7-13(8-6-12)21-11-9-15(18)17-10-3-2-4-14(17)16(19)20/h5-8,14H,2-4,9-11H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyFCMPJZYAKPLAKS-CQSZACIVSA-N
MW291.35 g/mol
LogP2.23
Rot. Bonds5

About (2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid

(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid (PubChem CID 79035326) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
PubChem CID79035326
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(OCCC(=O)N2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C16H21NO4/c1-12-5-7-13(8-6-12)21-11-9-15(18)17-10-3-2-4-14(17)16(19)20/h5-8,14H,2-4,9-11H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyFCMPJZYAKPLAKS-CQSZACIVSA-N
XLogP2.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922353
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
(2S)-1-[3-(4-chlorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 92924493
1-[2-(hydroxymethyl)azepan-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 116636124
(2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035276
1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid
CID 119176003
1-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
CID 119176074
1-[2-(4-phenoxybutanoylamino)acetyl]pyrrolidine-2-carboxylic acid;toluene
CID 163225404
(2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 79035220
(2S)-1-(3-pyridin-3-yloxypropanoyl)pyrrolidine-2-carboxylic acid
CID 110837105
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092192
1-[5-(3-methylphenoxy)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119355758

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid (CID 79035326) is (2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid is Cc1ccc(OCCC(=O)N2CCCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is FCMPJZYAKPLAKS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12-5-7-13(8-6-12)21-11-9-15(18)17-10-3-2-4-14(17)16(19)20/h5-8,14H,2-4,9-11H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid?
(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79035326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).