methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate

C8H14N2O3 — CID 130605326

IUPACmethyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(N)=O)C1C
InChIInChI=1S/C8H14N2O3/c1-5-6(7(11)13-2)3-4-10(5)8(9)12/h5-6H,3-4H2,1-2H3,(H2,9,12)
InChIKeyCRHFTXFNOPPPEC-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.05
Rot. Bonds1

About methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate

methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate (PubChem CID 130605326) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate
PubChem CID130605326
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(N)=O)C1C
InChIInChI=1S/C8H14N2O3/c1-5-6(7(11)13-2)3-4-10(5)8(9)12/h5-6H,3-4H2,1-2H3,(H2,9,12)
InChIKeyCRHFTXFNOPPPEC-UHFFFAOYSA-N
XLogP-0.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-O-methyl 1-O-(2-methylbutan-2-yl) (2S,3S)-2-methylpyrrolidine-1,3-dicarboxylate
CID 155109216
methyl 1-ethyl-2-methylpyrrolidine-3-carboxylate
CID 126995651
1-carbamoyl-2-methylpiperidine-3-carboxylic acid
CID 130961604
methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate
CID 120857753
1-O-tert-butyl 3-O-methyl 2-methylpiperidine-1,3-dicarboxylate
CID 90404337
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate
CID 67713903
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
methyl 1-acetyl-3-methylpiperidine-4-carboxylate
CID 175131976
methyl (2R,3S)-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 142502174
methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 130875347

Frequently Asked Questions

What is the IUPAC name of methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate (CID 130605326) is methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate is COC(=O)C1CCN(C(N)=O)C1C.
What is the InChIKey of methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate?
The InChIKey is CRHFTXFNOPPPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5-6(7(11)13-2)3-4-10(5)8(9)12/h5-6H,3-4H2,1-2H3,(H2,9,12).
What are the key properties of methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate?
methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate has a molecular weight of 186.21 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-carbamoyl-2-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 130605326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).