methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate

C12H19NO3 — CID 79507346

IUPACmethyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C(C)C1CC1
InChIInChI=1S/C12H19NO3/c1-8(9-5-6-9)11(14)13-7-3-4-10(13)12(15)16-2/h8-10H,3-7H2,1-2H3
InChIKeyRWNLGFJAWCGOKY-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.20
Rot. Bonds3

About methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate

methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 79507346) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID79507346
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Namemethyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C(C)C1CC1
InChIInChI=1S/C12H19NO3/c1-8(9-5-6-9)11(14)13-7-3-4-10(13)12(15)16-2/h8-10H,3-7H2,1-2H3
InChIKeyRWNLGFJAWCGOKY-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate
CID 112745083
methyl (2S)-1-[(2R,3S)-2,3-dihydroxy-4-methoxy-4-oxobutanoyl]pyrrolidine-2-carboxylate
CID 102320964
methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 79833510
methyl (2S)-1-[(2R)-2-methyl-4-oxopentanoyl]pyrrolidine-2-carboxylate
CID 11974374
methyl 1-(2-methyl-3-methylsulfanylpropanoyl)pyrrolidine-2-carboxylate
CID 551045
(2R)-1-(2-cyclopropylpropanoyl)piperidine-2-carboxylic acid
CID 83146744
3-(2-methoxycarbonylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897501
methyl 1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 18411452
methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
CID 79202285
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
methyl 1-(2-bromobutanoyl)pyrrolidine-2-carboxylate
CID 62855013

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate (CID 79507346) is methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)C(C)C1CC1.
What is the InChIKey of methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is RWNLGFJAWCGOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8(9-5-6-9)11(14)13-7-3-4-10(13)12(15)16-2/h8-10H,3-7H2,1-2H3.
What are the key properties of methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate?
methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 79507346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).