(2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

C14H18FNO3 — CID 138487467

IUPAC(2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESCC[C@@]1(CO)CC[C@@H](c2cccc(F)c2)N1C(=O)O
InChIInChI=1S/C14H18FNO3/c1-2-14(9-17)7-6-12(16(14)13(18)19)10-4-3-5-11(15)8-10/h3-5,8,12,17H,2,6-7,9H2,1H3,(H,18,19)/t12-,14-/m0/s1
InChIKeyWNCHFRDEJMMTQK-JSGCOSHPSA-N
MW267.30 g/mol
LogP2.78
Rot. Bonds3

About (2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

(2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 138487467) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is (2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID138487467
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name(2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESCC[C@@]1(CO)CC[C@@H](c2cccc(F)c2)N1C(=O)O
InChIInChI=1S/C14H18FNO3/c1-2-14(9-17)7-6-12(16(14)13(18)19)10-4-3-5-11(15)8-10/h3-5,8,12,17H,2,6-7,9H2,1H3,(H,18,19)/t12-,14-/m0/s1
InChIKeyWNCHFRDEJMMTQK-JSGCOSHPSA-N
XLogP2.78
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide
CID 134199814
N-[2-[(5S)-2,2-diethyl-5-(3-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-methyl-4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]benzamide
CID 134199816
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276276
(2S,5R)-2-(3-fluorophenyl)-5-(2-methylsulfanylpropan-2-yl)pyrrolidine-1-carboxylic acid
CID 138487546
N-cyclopropyl-2-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 97314178
(2R)-1-ethylsulfonyl-2-(3-fluorophenyl)azepane
CID 93072811
(2S)-1-ethylsulfonyl-2-(3-fluorophenyl)azepane
CID 93072812
N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
CID 120737225
3-(1-cyclopropylethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83244740
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
ethyl (6R)-6-(3-fluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 694277

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (CID 138487467) is (2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is CC[C@@]1(CO)CC[C@@H](c2cccc(F)c2)N1C(=O)O.
What is the InChIKey of (2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is WNCHFRDEJMMTQK-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-14(9-17)7-6-12(16(14)13(18)19)10-4-3-5-11(15)8-10/h3-5,8,12,17H,2,6-7,9H2,1H3,(H,18,19)/t12-,14-/m0/s1.
What are the key properties of (2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
(2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 138487467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).