(3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid

C15H23NO3 — CID 120980215

IUPAC(3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)C2CCCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C15H23NO3/c17-14(11-4-2-1-3-5-11)16-8-12(10-6-7-10)13(9-16)15(18)19/h10-13H,1-9H2,(H,18,19)/t12-,13+/m1/s1
InChIKeyDUIACBHFYIXAKV-OLZOCXBDSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds3

About (3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid

(3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid (PubChem CID 120980215) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
PubChem CID120980215
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)C2CCCCC2)C[C@@H]1C1CC1
InChIInChI=1S/C15H23NO3/c17-14(11-4-2-1-3-5-11)16-8-12(10-6-7-10)13(9-16)15(18)19/h10-13H,1-9H2,(H,18,19)/t12-,13+/m1/s1
InChIKeyDUIACBHFYIXAKV-OLZOCXBDSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 2837862
(3S*,4S*)-1-cyclohexyl-4-cyclopropyl-3-pyrrolidinecarboxylic acid
CID 72854295
1-(3-Cyclohexylpropanoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363784
(3R,4R)-1-(3-cyclopentylpropanoyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978230
(3S*,4S*)-4-cyclopropyl-1-(4,4,4-trifluorobutanoyl)-3-pyrrolidinecarboxylic acid
CID 72925981
1-(Bicyclo[3.1.0]hexane-6-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 81624165
1-(4,4-Difluorocyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 81930117
1-(4,4-Difluorocyclohexanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 81930427
1-[4-(Trifluoromethyl)cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid
CID 81931051
4-Methyl-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid
CID 81931056
(3S,4S)-1-(4,4-difluorocyclohexanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 105578345
(3S,4S)-4-methyl-1-[4-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid
CID 105578470

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid (CID 120980215) is (3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CN(C(=O)C2CCCCC2)C[C@@H]1C1CC1.
What is the InChIKey of (3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
The InChIKey is DUIACBHFYIXAKV-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23NO3/c17-14(11-4-2-1-3-5-11)16-8-12(10-6-7-10)13(9-16)15(18)19/h10-13H,1-9H2,(H,18,19)/t12-,13+/m1/s1.
What are the key properties of (3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120980215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).