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

C16H21NO4 — CID 79035276

IUPAC(2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
SMILESCc1ccccc1OCCC(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C16H21NO4/c1-12-6-2-3-8-14(12)21-11-9-15(18)17-10-5-4-7-13(17)16(19)20/h2-3,6,8,13H,4-5,7,9-11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyNMLIRBNKQJOSCJ-CYBMUJFWSA-N
MW291.35 g/mol
LogP2.23
Rot. Bonds5

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

(2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid (PubChem CID 79035276) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
PubChem CID79035276
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
SMILESCc1ccccc1OCCC(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C16H21NO4/c1-12-6-2-3-8-14(12)21-11-9-15(18)17-10-5-4-7-13(17)16(19)20/h2-3,6,8,13H,4-5,7,9-11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyNMLIRBNKQJOSCJ-CYBMUJFWSA-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

1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922238
(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035326
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 79028625
1-[2-[(dimethylamino)methyl]piperidin-1-yl]-4-(2-methylphenoxy)butan-1-one
CID 60592852
(2S)-1-[3-(2-ethoxyphenyl)propanoyl]piperidine-2-carboxylic acid
CID 124683442
(3S)-4-[4-(2-methylphenoxy)butanoyl]morpholine-3-carboxylic acid
CID 125133599
(2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922353
5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid
CID 154782740
(2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid
CID 119371594
(2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79034352
1-[2-[2-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethoxy]-3-methylphenoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 22717245

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid (CID 79035276) is (2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid is Cc1ccccc1OCCC(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid?
The InChIKey is NMLIRBNKQJOSCJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12-6-2-3-8-14(12)21-11-9-15(18)17-10-5-4-7-13(17)16(19)20/h2-3,6,8,13H,4-5,7,9-11H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid?
(2R)-1-[3-(2-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-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79035276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).