benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate

C14H19NO3 — CID 71148549

IUPACbenzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate
SMILESCOC[C@@H]1C[C@H](C(=O)OCc2ccccc2)CN1
InChIInChI=1S/C14H19NO3/c1-17-10-13-7-12(8-15-13)14(16)18-9-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13-/m0/s1
InChIKeyWOMLQSDRNBHCEC-STQMWFEESA-N
MW249.31 g/mol
LogP1.35
Rot. Bonds5

About benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate

benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate (PubChem CID 71148549) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate
PubChem CID71148549
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate
SMILESCOC[C@@H]1C[C@H](C(=O)OCc2ccccc2)CN1
InChIInChI=1S/C14H19NO3/c1-17-10-13-7-12(8-15-13)14(16)18-9-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13-/m0/s1
InChIKeyWOMLQSDRNBHCEC-STQMWFEESA-N
XLogP1.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate 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

dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl (2S)-2-methylpiperidine-4-carboxylate
CID 58583746
benzyl (3S,5S)-5-(morpholine-4-carbonyl)pyrrolidine-3-carboxylate
CID 126574351
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
2-(3-phenylmethoxycarbonylcyclobutyl)acetic acid
CID 170907534
benzyl 3-methoxycyclopentane-1-carboxylate
CID 175265399
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate
CID 141251927
benzyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 123268049
benzyl 3-methylidenecyclobutane-1-carboxylate;ethane
CID 142367650
benzyl 3-(fluoromethyl)cyclobutane-1-carboxylate
CID 90205162
3-O-benzyl 1-O-tert-butyl 5-(methoxymethyl)pyrrolidine-1,3-dicarboxylate
CID 20723877

Frequently Asked Questions

What is the IUPAC name of benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate?
The IUPAC name of benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate (CID 71148549) is benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate is COC[C@@H]1C[C@H](C(=O)OCc2ccccc2)CN1.
What is the InChIKey of benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate?
The InChIKey is WOMLQSDRNBHCEC-STQMWFEESA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-10-13-7-12(8-15-13)14(16)18-9-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate?
benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 71148549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).