(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid

C15H19NO4 — CID 78922398

IUPAC(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)Oc1cccc(C(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-10(2)20-12-6-3-5-11(9-12)14(17)16-8-4-7-13(16)15(18)19/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyWTRKMDBEWISUEO-CYBMUJFWSA-N
MW277.32 g/mol
LogP2.16
Rot. Bonds4

About (2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 78922398) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID78922398
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)Oc1cccc(C(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-10(2)20-12-6-3-5-11(9-12)14(17)16-8-4-7-13(16)15(18)19/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyWTRKMDBEWISUEO-CYBMUJFWSA-N
XLogP2.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid
CID 99639499
(2R)-1-[2-(3-acetylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372078
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
CID 62406215
(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid
CID 120537427
(2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78922123
1-[3-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 43329171
1-[3-(methylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355631
(2S)-1-[3-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365942
(2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119366265
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 10508341
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid (CID 78922398) is (2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid is CC(C)Oc1cccc(C(=O)N2CCC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WTRKMDBEWISUEO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(2)20-12-6-3-5-11(9-12)14(17)16-8-4-7-13(16)15(18)19/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).