4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid

C19H25NO3 — CID 120674509

IUPAC4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1CC(c2ccccc2)CN1C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C19H25NO3/c1-13-11-17(14-5-3-2-4-6-14)12-20(13)18(21)15-7-9-16(10-8-15)19(22)23/h2-6,13,15-17H,7-12H2,1H3,(H,22,23)
InChIKeyARNKJFYTAGUUMR-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.28
Rot. Bonds3

About 4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid

4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 120674509) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID120674509
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1CC(c2ccccc2)CN1C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C19H25NO3/c1-13-11-17(14-5-3-2-4-6-14)12-20(13)18(21)15-7-9-16(10-8-15)19(22)23/h2-6,13,15-17H,7-12H2,1H3,(H,22,23)
InChIKeyARNKJFYTAGUUMR-UHFFFAOYSA-N
XLogP3.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-4-phenylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120633950
1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
2-(2-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 119135565
(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide
CID 101423033
(1-aminocyclopropyl)-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119790908
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-methyl-4-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 120793803
(2-methyl-4-phenylpiperidin-1-yl)-(oxolan-3-yl)methanone
CID 122139809
4-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)butan-1-one
CID 119327765
2-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-phenylethanone;hydrochloride
CID 119327754
(2R,4R)-2-methyl-4-(4-phenoxyphenyl)pyrrolidine-1-carboxylic acid
CID 57185513
1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 119790957
trans-(1R,3R)-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124778341

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 120674509) is 4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid is CC1CC(c2ccccc2)CN1C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is ARNKJFYTAGUUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13-11-17(14-5-3-2-4-6-14)12-20(13)18(21)15-7-9-16(10-8-15)19(22)23/h2-6,13,15-17H,7-12H2,1H3,(H,22,23).
What are the key properties of 4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid?
4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 315.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).