methyl 4-(methylamino)pyrrolidine-3-carboxylate

C7H14N2O2 — CID 59883104

IUPACmethyl 4-(methylamino)pyrrolidine-3-carboxylate
SMILESCNC1CNCC1C(=O)OC
InChIInChI=1S/C7H14N2O2/c1-8-6-4-9-3-5(6)7(10)11-2/h5-6,8-9H,3-4H2,1-2H3
InChIKeyWCKUYMAPXPJXKS-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.03
Rot. Bonds2

About methyl 4-(methylamino)pyrrolidine-3-carboxylate

methyl 4-(methylamino)pyrrolidine-3-carboxylate (PubChem CID 59883104) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 4-(methylamino)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methylamino)pyrrolidine-3-carboxylate
PubChem CID59883104
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl 4-(methylamino)pyrrolidine-3-carboxylate
SMILESCNC1CNCC1C(=O)OC
InChIInChI=1S/C7H14N2O2/c1-8-6-4-9-3-5(6)7(10)11-2/h5-6,8-9H,3-4H2,1-2H3
InChIKeyWCKUYMAPXPJXKS-UHFFFAOYSA-N
XLogP-1.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

rac-methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 1512689
(3S,4R)-4-Amino-3-pyrrolidinecarboxylic acid
CID 11424236
Methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 1512690
Methyl 4-methylpyrrolidin-3-carboxylate
CID 5081515
Ethyl pyrrolidine-3-carboxylate
CID 12896002
Methyl pyrrolidine-3-carboxylate hydrochloride
CID 19261352
methyl (3R)-pyrrolidine-3-carboxylate hydrochloride
CID 46907954
4-Aminopyrrolidine-3-carboxylic acid
CID 23446083
Methyl Pyrrolidine-3-carboxylate
CID 4114360
(3S,4R)-4-aminopyrrolidine-3-carboxylic acid dihydrochloride
CID 11424235
Methyl 2-methylpyrrolidine-3-carboxylate hydrochloride
CID 75525675
(3R,4R)-4-Aminopyrrolidine-3-carboxylic acid
CID 11355492

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-(methylamino)pyrrolidine-3-carboxylate (CID 59883104) is methyl 4-(methylamino)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-(methylamino)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-(methylamino)pyrrolidine-3-carboxylate is CNC1CNCC1C(=O)OC.
What is the InChIKey of methyl 4-(methylamino)pyrrolidine-3-carboxylate?
The InChIKey is WCKUYMAPXPJXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-8-6-4-9-3-5(6)7(10)11-2/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of methyl 4-(methylamino)pyrrolidine-3-carboxylate?
methyl 4-(methylamino)pyrrolidine-3-carboxylate has a molecular weight of 158.20 g/mol, XLogP of -1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)pyrrolidine-3-carboxylate is sourced from PubChem (CID 59883104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).