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

C18H23NO3 — CID 20672311

IUPAC(2R)-2-cyclopentyl-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]acetic acid
SMILESO=C[C@H]1CN([C@@H](C(=O)O)C2CCCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H23NO3/c20-12-15-10-19(11-16(15)13-6-2-1-3-7-13)17(18(21)22)14-8-4-5-9-14/h1-3,6-7,12,14-17H,4-5,8-11H2,(H,21,22)/t15-,16-,17-/m1/s1
InChIKeyCDEMOHHHBRHDPX-BRWVUGGUSA-N
MW301.39 g/mol
LogP2.54
Rot. Bonds5

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

(2R)-2-cyclopentyl-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]acetic acid (PubChem CID 20672311) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-2-cyclopentyl-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-cyclopentyl-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]acetic acid
PubChem CID20672311
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(2R)-2-cyclopentyl-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]acetic acid
SMILESO=C[C@H]1CN([C@@H](C(=O)O)C2CCCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H23NO3/c20-12-15-10-19(11-16(15)13-6-2-1-3-7-13)17(18(21)22)14-8-4-5-9-14/h1-3,6-7,12,14-17H,4-5,8-11H2,(H,21,22)/t15-,16-,17-/m1/s1
InChIKeyCDEMOHHHBRHDPX-BRWVUGGUSA-N
XLogP2.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-cyclohexyl-2-(3-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 142021732
(2R)-2-cyclohexyl-2-[(3R,4S)-3-methyl-4-phenylpyrrolidin-1-yl]acetic acid
CID 147592244
(2R)-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]propanoic acid
CID 20672313
(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetic acid
CID 20664167
(2R,3R)-3-cyclobutyl-2-[(3S,4R)-3-(3-fluorophenyl)-4-formylpyrrolidin-1-yl]butanoic acid
CID 20664076
2-(3-formyl-4-phenylpyrrolidin-1-yl)-2-naphthalen-1-ylacetic acid
CID 21180851
(2R)-2-cyclohexyl-2-[(4S)-3-phenyl-4-[(4-pyridin-3-ylpiperidin-1-yl)methyl]pyrrolidin-1-yl]acetic acid
CID 59959093
benzyl (2R)-3-cyclopentyl-2-[(3S,4R)-3-(3-fluorophenyl)-4-formylpyrrolidin-1-yl]propanoate
CID 86757208
benzyl 3-cyclobutyl-2-[3-(3-fluorophenyl)-4-formylpyrrolidin-1-yl]propanoate
CID 18342673
2-(3-tert-butylazetidin-1-yl)-2-cyclohexylacetic acid
CID 79695044
(2R)-2-cyclohexyl-2-[(3S)-3-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid
CID 59959049
2-[2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]phenyl]acetic acid
CID 20672312

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopentyl-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]acetic acid?
The IUPAC name of (2R)-2-cyclopentyl-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]acetic acid (CID 20672311) is (2R)-2-cyclopentyl-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]acetic acid.
What is the SMILES notation for (2R)-2-cyclopentyl-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]acetic acid?
The canonical SMILES for (2R)-2-cyclopentyl-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]acetic acid is O=C[C@H]1CN([C@@H](C(=O)O)C2CCCC2)C[C@@H]1c1ccccc1.
What is the InChIKey of (2R)-2-cyclopentyl-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]acetic acid?
The InChIKey is CDEMOHHHBRHDPX-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H23NO3/c20-12-15-10-19(11-16(15)13-6-2-1-3-7-13)17(18(21)22)14-8-4-5-9-14/h1-3,6-7,12,14-17H,4-5,8-11H2,(H,21,22)/t15-,16-,17-/m1/s1.
What are the key properties of (2R)-2-cyclopentyl-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]acetic acid?
(2R)-2-cyclopentyl-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]acetic acid has a molecular weight of 301.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopentyl-2-[(3R,4S)-3-formyl-4-phenylpyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 20672311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).