ethyl 4-amino-1-methylpyrrolidine-2-carboxylate

C8H16N2O2 — CID 20763173

IUPACethyl 4-amino-1-methylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CC(N)CN1C
InChIInChI=1S/C8H16N2O2/c1-3-12-8(11)7-4-6(9)5-10(7)2/h6-7H,3-5,9H2,1-2H3
InChIKeyFGMKCJJEMKDWCF-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.42
Rot. Bonds2

About ethyl 4-amino-1-methylpyrrolidine-2-carboxylate

ethyl 4-amino-1-methylpyrrolidine-2-carboxylate (PubChem CID 20763173) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is ethyl 4-amino-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-methylpyrrolidine-2-carboxylate
PubChem CID20763173
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameethyl 4-amino-1-methylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CC(N)CN1C
InChIInChI=1S/C8H16N2O2/c1-3-12-8(11)7-4-6(9)5-10(7)2/h6-7H,3-5,9H2,1-2H3
InChIKeyFGMKCJJEMKDWCF-UHFFFAOYSA-N
XLogP-0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,4R)-4-amino-1-methylpyrrolidin-2-yl]ethanone
CID 70192630
(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid
CID 59097211
diethyl (2R,5S)-1-methylpyrrolidine-2,5-dicarboxylate
CID 13279466
ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate
CID 102511677
diethyl 5-aminocyclohexane-1,3-dicarboxylate
CID 117273182
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
(2S,4S)-4-amino-2-(2,2-dimethylpropoxycarbonyl)pyrrolidine-1-carboxylic acid
CID 170339024
ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate
CID 118992889
ethyl (3R,5S)-5-ethoxy-2-methyl-1,2-oxazolidine-3-carboxylate
CID 131860327
ethyl 1-(2-ethoxy-2-oxoethyl)aziridine-2-carboxylate
CID 2851731
ethyl 1-methylpyrrolidine-3-carboxylate
CID 21202735
ethyl (2R)-1-(3-methoxy-3-oxopropyl)aziridine-2-carboxylate
CID 2053588

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl 4-amino-1-methylpyrrolidine-2-carboxylate (CID 20763173) is ethyl 4-amino-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 4-amino-1-methylpyrrolidine-2-carboxylate is CCOC(=O)C1CC(N)CN1C.
What is the InChIKey of ethyl 4-amino-1-methylpyrrolidine-2-carboxylate?
The InChIKey is FGMKCJJEMKDWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-12-8(11)7-4-6(9)5-10(7)2/h6-7H,3-5,9H2,1-2H3.
What are the key properties of ethyl 4-amino-1-methylpyrrolidine-2-carboxylate?
ethyl 4-amino-1-methylpyrrolidine-2-carboxylate has a molecular weight of 172.23 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 20763173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).