ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate

C8H15NO2 — CID 45115923

IUPACethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1NCC[C@@H]1C
InChIInChI=1S/C8H15NO2/c1-3-11-8(10)7-6(2)4-5-9-7/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyYJXMGRSSLHPGTO-BQBZGAKWSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds2

About ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate

ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate (PubChem CID 45115923) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate
PubChem CID45115923
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1NCC[C@@H]1C
InChIInChI=1S/C8H15NO2/c1-3-11-8(10)7-6(2)4-5-9-7/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyYJXMGRSSLHPGTO-BQBZGAKWSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (2S,3S)-3-methylpyrrolidine-2-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

diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate
CID 99768949
methyl (2S,3R)-3-methylpyrrolidine-2-carboxylate
CID 45089991
2-methylpentyl 3-methylpyrrolidine-2-carboxylate
CID 103284116
1-ethoxypropan-2-yl 3-methylpyrrolidine-2-carboxylate
CID 103488963
ethyl (2S,3S)-2-methylpyrrolidine-3-carboxylate
CID 155921196
ethyl (2R,3S)-2-methylmorpholine-3-carboxylate
CID 90001541
ethyl 3-ethylpiperidine-2-carboxylate
CID 144594238
N,N-bis(2-ethoxyethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779936
ethyl (3aS,4R,6aR)-1,2,3,3a,4,5,6,6a-octahydropyrrolo[2,3-c]pyrrole-4-carboxylate
CID 170446159
ethyl 3-prop-1-en-2-ylpiperidine-2-carboxylate
CID 14334512
ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate
CID 102778708
ethane;(2S,3S)-3-methylpyrrolidine-2-carboxylic acid
CID 161011942

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate (CID 45115923) is ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate is CCOC(=O)[C@H]1NCC[C@@H]1C.
What is the InChIKey of ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate?
The InChIKey is YJXMGRSSLHPGTO-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-11-8(10)7-6(2)4-5-9-7/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate?
ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 45115923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).