methyl 4-methylpyrrolidine-3-carboxylate

C7H13NO2 — CID 5081515

IUPACmethyl 4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CNCC1C
InChIInChI=1S/C7H13NO2/c1-5-3-8-4-6(5)7(9)10-2/h5-6,8H,3-4H2,1-2H3
InChIKeyKXYSKSUNLWRSFW-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.01
Rot. Bonds1

About methyl 4-methylpyrrolidine-3-carboxylate

methyl 4-methylpyrrolidine-3-carboxylate (PubChem CID 5081515) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 4-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methylpyrrolidine-3-carboxylate
PubChem CID5081515
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 4-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CNCC1C
InChIInChI=1S/C7H13NO2/c1-5-3-8-4-6(5)7(9)10-2/h5-6,8H,3-4H2,1-2H3
InChIKeyKXYSKSUNLWRSFW-UHFFFAOYSA-N
XLogP0.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Pyrrolidinecarboxylic acid
CID 3034645
5-Oxo-pyrrolidine-3-carboxylic acid methyl ester
CID 13118117
(3R)-3-Pyrrolidinecarboxylic acid
CID 1501970
Methyl 2-oxopyrrolidine-3-carboxylate
CID 4738123
Ethyl pyrrolidine-3-carboxylate hydrochloride
CID 12896003
Methyl 3-methylpyrrolidine-3-carboxylate
CID 58201304
rac-methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 1512689
3,4-diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate
CID 13172076
rac-(3R,4R)-4-methylpyrrolidine-3-carboxylic acid
CID 1512685
Methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 1512690
4,4-Dimethyl-pyrrolidine-3-carboxylic acid
CID 5103410
Ethyl pyrrolidine-3-carboxylate
CID 12896002

Frequently Asked Questions

What is the IUPAC name of methyl 4-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-methylpyrrolidine-3-carboxylate (CID 5081515) is methyl 4-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-methylpyrrolidine-3-carboxylate is COC(=O)C1CNCC1C.
What is the InChIKey of methyl 4-methylpyrrolidine-3-carboxylate?
The InChIKey is KXYSKSUNLWRSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-3-8-4-6(5)7(9)10-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of methyl 4-methylpyrrolidine-3-carboxylate?
methyl 4-methylpyrrolidine-3-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 5081515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).