(2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid

C19H27NO2 — CID 147592244

IUPAC(2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid
SMILESC[C@H]1CN([C@@H](C(=O)O)C2CCCCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H27NO2/c1-14-12-20(13-17(14)15-8-4-2-5-9-15)18(19(21)22)16-10-6-3-7-11-16/h2,4-5,8-9,14,16-18H,3,6-7,10-13H2,1H3,(H,21,22)/t14-,17-,18+/m0/s1
InChIKeyFYMZCTKVOIQTPC-JCGIZDLHSA-N
MW301.43 g/mol
LogP3.76
Rot. Bonds4

About (2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid

(2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid (PubChem CID 147592244) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid
PubChem CID147592244
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name(2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid
SMILESC[C@H]1CN([C@@H](C(=O)O)C2CCCCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H27NO2/c1-14-12-20(13-17(14)15-8-4-2-5-9-15)18(19(21)22)16-10-6-3-7-11-16/h2,4-5,8-9,14,16-18H,3,6-7,10-13H2,1H3,(H,21,22)/t14-,17-,18+/m0/s1
InChIKeyFYMZCTKVOIQTPC-JCGIZDLHSA-N
XLogP3.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid?
The IUPAC name of (2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid (CID 147592244) is (2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid.
What is the SMILES notation for (2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid?
The canonical SMILES for (2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid is C[C@H]1CN([C@@H](C(=O)O)C2CCCCC2)C[C@@H]1c1ccccc1.
What is the InChIKey of (2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid?
The InChIKey is FYMZCTKVOIQTPC-JCGIZDLHSA-N. The full InChI is InChI=1S/C19H27NO2/c1-14-12-20(13-17(14)15-8-4-2-5-9-15)18(19(21)22)16-10-6-3-7-11-16/h2,4-5,8-9,14,16-18H,3,6-7,10-13H2,1H3,(H,21,22)/t14-,17-,18+/m0/s1.
What are the key properties of (2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid?
(2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid has a molecular weight of 301.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 147592244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).