methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate

C11H22N2O2 — CID 79414659

IUPACmethyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate
SMILESCOC(=O)C(C)C(C)N(C)C1CCNC1
InChIInChI=1S/C11H22N2O2/c1-8(11(14)15-4)9(2)13(3)10-5-6-12-7-10/h8-10,12H,5-7H2,1-4H3
InChIKeyOGCIFWFNTJPPOF-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.48
Rot. Bonds4

About methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate

methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate (PubChem CID 79414659) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate
PubChem CID79414659
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate
SMILESCOC(=O)C(C)C(C)N(C)C1CCNC1
InChIInChI=1S/C11H22N2O2/c1-8(11(14)15-4)9(2)13(3)10-5-6-12-7-10/h8-10,12H,5-7H2,1-4H3
InChIKeyOGCIFWFNTJPPOF-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 63301878
N-carbamoyl-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301604
methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate
CID 175212837
methyl 2-[ethyl(pyrrolidin-3-yl)amino]propanoate
CID 63299827
N-(3-methoxypropyl)-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301691
(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 138393817
N-(methylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301559
ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate
CID 83049855
2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol
CID 104556943
methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate
CID 63300934
methyl 3-[methyl(piperidin-4-yl)amino]butanoate
CID 43607263
2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid
CID 83049954

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate?
The IUPAC name of methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate (CID 79414659) is methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate is COC(=O)C(C)C(C)N(C)C1CCNC1.
What is the InChIKey of methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate?
The InChIKey is OGCIFWFNTJPPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(11(14)15-4)9(2)13(3)10-5-6-12-7-10/h8-10,12H,5-7H2,1-4H3.
What are the key properties of methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate?
methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate has a molecular weight of 214.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate is sourced from PubChem (CID 79414659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).