methyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate

C9H18N2O3 — CID 83848115

IUPACmethyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCCC1N(C(=O)OC)CCC1(N)CO
InChIInChI=1S/C9H18N2O3/c1-3-7-9(10,6-12)4-5-11(7)8(13)14-2/h7,12H,3-6,10H2,1-2H3
InChIKeyNOXRTRMRICZXDO-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.07
Rot. Bonds2

About methyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate

methyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate (PubChem CID 83848115) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate
PubChem CID83848115
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCCC1N(C(=O)OC)CCC1(N)CO
InChIInChI=1S/C9H18N2O3/c1-3-7-9(10,6-12)4-5-11(7)8(13)14-2/h7,12H,3-6,10H2,1-2H3
InChIKeyNOXRTRMRICZXDO-UHFFFAOYSA-N
XLogP-0.07
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid
CID 83848056
2-(3-amino-1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
CID 83848977
benzyl (2S,3S)-2-ethyl-3-hydroxy-3-methylpyrrolidine-1-carboxylate
CID 59273087
2-[2-(4-methoxycarbonylpiperazin-1-yl)-2-oxoethoxy]acetic acid
CID 61328279
dimethyl 4-aminopiperidine-1,4-dicarboxylate
CID 131627153
methyl 3-(aminomethyl)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 83848113
methyl (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
CID 50941594
methyl 4,5,5-tributyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 150170409
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
benzyl (2S,3S)-3-amino-2-[(3-bromo-2-fluorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 170774810
methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210
methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate
CID 130711152

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of methyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate (CID 83848115) is methyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate is CCC1N(C(=O)OC)CCC1(N)CO.
What is the InChIKey of methyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is NOXRTRMRICZXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-7-9(10,6-12)4-5-11(7)8(13)14-2/h7,12H,3-6,10H2,1-2H3.
What are the key properties of methyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate?
methyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 83848115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).