(3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid

C14H23NO2 — CID 72854295

IUPAC(3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C2CCCCC2)C[C@H]1C1CC1
InChIInChI=1S/C14H23NO2/c16-14(17)13-9-15(8-12(13)10-6-7-10)11-4-2-1-3-5-11/h10-13H,1-9H2,(H,16,17)/t12-,13+/m0/s1
InChIKeyCATVCPSIRWPRIV-QWHCGFSZSA-N
MW237.34 g/mol
LogP2.36
Rot. Bonds3

About (3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid

(3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid (PubChem CID 72854295) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid
PubChem CID72854295
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C2CCCCC2)C[C@H]1C1CC1
InChIInChI=1S/C14H23NO2/c16-14(17)13-9-15(8-12(13)10-6-7-10)11-4-2-1-3-5-11/h10-13H,1-9H2,(H,16,17)/t12-,13+/m0/s1
InChIKeyCATVCPSIRWPRIV-QWHCGFSZSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclopentyl-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 72868372
(3S*,4S*)-4-cyclopropyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinecarboxylic acid
CID 72911881
(3R,4R)-1-(cyclohexanecarbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120980215
(2R,3S)-2-cyclopropyl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 96594040
2-[1-[(3,3-Difluorocyclohexyl)methyl]pyrrolidin-2-yl]acetic acid
CID 114224324
4-(2-Fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid
CID 115017809
(3S,4S)-4-cyclopropyl-1-propan-2-ylpyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 154879057
5-Ethyl-1-methylpyrrolidine-3-carboxylic acid
CID 20810105
2-Pyrrolidin-1-ylcyclohexane-1-carboxylic acid
CID 21276979
cis-(1R,2S)-2-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
CID 22841328
1,5-Di(propan-2-yl)pyrrolidine-3-carboxylic acid
CID 58778474
(3S,5R)-5-ethyl-1-methylpyrrolidine-3-carboxylic acid
CID 60017101

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid (CID 72854295) is (3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CN(C2CCCCC2)C[C@H]1C1CC1.
What is the InChIKey of (3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid?
The InChIKey is CATVCPSIRWPRIV-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H23NO2/c16-14(17)13-9-15(8-12(13)10-6-7-10)11-4-2-1-3-5-11/h10-13H,1-9H2,(H,16,17)/t12-,13+/m0/s1.
What are the key properties of (3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid?
(3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid has a molecular weight of 237.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-cyclohexyl-4-cyclopropylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 72854295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).