ethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate

C9H18N2O3 — CID 166437434

IUPACethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate
SMILESCCOC(=O)N1C[C@@H](N(C)C)[C@@H](O)C1
InChIInChI=1S/C9H18N2O3/c1-4-14-9(13)11-5-7(10(2)3)8(12)6-11/h7-8,12H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyHBISDNZKCKGTCV-SFYZADRCSA-N
MW202.25 g/mol
LogP-0.25
Rot. Bonds2

About ethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate

ethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 166437434) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate
PubChem CID166437434
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate
SMILESCCOC(=O)N1C[C@@H](N(C)C)[C@@H](O)C1
InChIInChI=1S/C9H18N2O3/c1-4-14-9(13)11-5-7(10(2)3)8(12)6-11/h7-8,12H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyHBISDNZKCKGTCV-SFYZADRCSA-N
XLogP-0.25
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of ethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate (CID 166437434) is ethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for ethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate is CCOC(=O)N1C[C@@H](N(C)C)[C@@H](O)C1.
What is the InChIKey of ethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is HBISDNZKCKGTCV-SFYZADRCSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-4-14-9(13)11-5-7(10(2)3)8(12)6-11/h7-8,12H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of ethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate?
ethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4S)-3-(dimethylamino)-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 166437434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).