methyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate

C9H17NO3 — CID 58681436

IUPACmethyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate
SMILESCC[C@@]1(C(=O)OC)C[C@H](O)CN1C
InChIInChI=1S/C9H17NO3/c1-4-9(8(12)13-3)5-7(11)6-10(9)2/h7,11H,4-6H2,1-3H3/t7-,9-/m0/s1
InChIKeyBDFPRUPVHQODFE-CBAPKCEASA-N
MW187.24 g/mol
LogP0.00
Rot. Bonds2

About methyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate

methyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate (PubChem CID 58681436) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate
PubChem CID58681436
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate
SMILESCC[C@@]1(C(=O)OC)C[C@H](O)CN1C
InChIInChI=1S/C9H17NO3/c1-4-9(8(12)13-3)5-7(11)6-10(9)2/h7,11H,4-6H2,1-3H3/t7-,9-/m0/s1
InChIKeyBDFPRUPVHQODFE-CBAPKCEASA-N
XLogP0.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S,4S)-2-ethyl-4-hydroxy-1-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

(2R,4S)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid
CID 638217
1-((Tert-butoxy)carbonyl)-4-hydroxy-2-methylpyrrolidine-2-carboxylic acid
CID 22324599
(2S,4R)-4-Methoxy-1-methylpyrrolidine-2-carboxylic acid
CID 14704646
Methyl 4-hydroxy-1,2-dimethylpyrrolidine-2-carboxylate hydrochloride
CID 126836128
4-Hydroxy-1,2-dimethylpyrrolidine-2-carboxylic acid hydrochloride
CID 134690978
(2S,4R)-4-(tert-butoxy)-1-methylpyrrolidine-2-carboxylic acid
CID 167742746
(2S,4R)-4-Hydroxy-1-propylpyrrolidine-2-carboxylic acid
CID 45116057
(4R)-1-Decyl-4-hydroxy-L-proline
CID 53471732
(4R)-1-Heptyl-4-hydroxy-L-proline
CID 53471733
(2S)-1-decyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 70292914
O1-tert-butyl O2-methyl (2S,3S,4R)-3-ethyl-4-hydroxy-pyrrolidine-1,2-dicarboxylate
CID 118184058
(2S,4S)-4-Methoxy-1-methylpyrrolidine-2-carboxylic acid
CID 58984907

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate (CID 58681436) is methyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate is CC[C@@]1(C(=O)OC)C[C@H](O)CN1C.
What is the InChIKey of methyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate?
The InChIKey is BDFPRUPVHQODFE-CBAPKCEASA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-9(8(12)13-3)5-7(11)6-10(9)2/h7,11H,4-6H2,1-3H3/t7-,9-/m0/s1.
What are the key properties of methyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate?
methyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-2-ethyl-4-hydroxy-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 58681436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).