ethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate

C9H18N2O3 — CID 15070021

IUPACethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC(CO)C(NC)C1
InChIInChI=1S/C9H18N2O3/c1-3-14-9(13)11-4-7(6-12)8(5-11)10-2/h7-8,10,12H,3-6H2,1-2H3
InChIKeyFOGBELYIUBNWIH-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.34
Rot. Bonds3

About ethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate

ethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate (PubChem CID 15070021) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate
PubChem CID15070021
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC(CO)C(NC)C1
InChIInChI=1S/C9H18N2O3/c1-3-14-9(13)11-4-7(6-12)8(5-11)10-2/h7-8,10,12H,3-6H2,1-2H3
InChIKeyFOGBELYIUBNWIH-UHFFFAOYSA-N
XLogP-0.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-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

Related Compounds

ethyl 3-ethyl-5-(methylamino)piperidine-1-carboxylate
CID 83989692
[1-iodo-4-(methylamino)pyrrolidin-3-yl]methanol
CID 130225749
ethyl 3-ethyl-4-(ethylamino)piperidine-1-carboxylate
CID 114506999
diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate
CID 121013120
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
ethyl (3S,4R)-3-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
CID 59145083
ethyl 5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 59789428
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
ethyl 5-hydroxy-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 117045601
tert-butyl (3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 93077844
butyl 3-(hydroxymethyl)azetidine-1-carboxylate
CID 69261484

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate (CID 15070021) is ethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate is CCOC(=O)N1CC(CO)C(NC)C1.
What is the InChIKey of ethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate?
The InChIKey is FOGBELYIUBNWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-14-9(13)11-4-7(6-12)8(5-11)10-2/h7-8,10,12H,3-6H2,1-2H3.
What are the key properties of ethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate?
ethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(hydroxymethyl)-4-(methylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 15070021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).