methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate

C12H21NO2 — CID 117245851

IUPACmethyl 2-cyclopentyl-3-(cyclopropylamino)propanoate
SMILESCOC(=O)C(CNC1CC1)C1CCCC1
InChIInChI=1S/C12H21NO2/c1-15-12(14)11(8-13-10-6-7-10)9-4-2-3-5-9/h9-11,13H,2-8H2,1H3
InChIKeyGBPHMHVFIWWVPI-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.72
Rot. Bonds5

About methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate

methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate (PubChem CID 117245851) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopentyl-3-(cyclopropylamino)propanoate
PubChem CID117245851
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl 2-cyclopentyl-3-(cyclopropylamino)propanoate
SMILESCOC(=O)C(CNC1CC1)C1CCCC1
InChIInChI=1S/C12H21NO2/c1-15-12(14)11(8-13-10-6-7-10)9-4-2-3-5-9/h9-11,13H,2-8H2,1H3
InChIKeyGBPHMHVFIWWVPI-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-cyclobutyl-3-(cyclobutylamino)propanoate
CID 117245680
methyl 3-(cyclobutylamino)-2-(oxolan-3-yl)propanoate
CID 117238072
methyl 3-(cyclopropylamino)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238066
methyl 2-cyclopentyl-3-sulfanylpropanoate
CID 117245914
methyl 2-cyclopropyl-3-(methylamino)propanoate
CID 117245476
methyl 2-chloro-3-(cyclohexylamino)propanoate
CID 103845864
methyl 2-chloro-3-(cycloheptylamino)propanoate
CID 103491892
methyl 2-cyclopentyl-3-(4-methoxyphenoxy)propanoate
CID 117245908
methyl 2-cyclobutyl-3-methylsulfanylpropanoate
CID 117245749
methyl (2S)-2-cyclohexylpent-4-ynoate
CID 58939028
methyl (2S)-2-cyclohexyl-4-(methylamino)-4-oxobutanoate
CID 58938762
methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate?
The IUPAC name of methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate (CID 117245851) is methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate?
The canonical SMILES for methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate is COC(=O)C(CNC1CC1)C1CCCC1.
What is the InChIKey of methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate?
The InChIKey is GBPHMHVFIWWVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-15-12(14)11(8-13-10-6-7-10)9-4-2-3-5-9/h9-11,13H,2-8H2,1H3.
What are the key properties of methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate?
methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate has a molecular weight of 211.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyl-3-(cyclopropylamino)propanoate is sourced from PubChem (CID 117245851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).