methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate

C13H27N3O2 — CID 79315799

IUPACmethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate
SMILESCCN1CCCC1CN(C)CC(NC)C(=O)OC
InChIInChI=1S/C13H27N3O2/c1-5-16-8-6-7-11(16)9-15(3)10-12(14-2)13(17)18-4/h11-12,14H,5-10H2,1-4H3
InChIKeyAUFSUEXIEKMFNR-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.16
Rot. Bonds7

About methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate

methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate (PubChem CID 79315799) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate
PubChem CID79315799
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Namemethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate
SMILESCCN1CCCC1CN(C)CC(NC)C(=O)OC
InChIInChI=1S/C13H27N3O2/c1-5-16-8-6-7-11(16)9-15(3)10-12(14-2)13(17)18-4/h11-12,14H,5-10H2,1-4H3
InChIKeyAUFSUEXIEKMFNR-UHFFFAOYSA-N
XLogP0.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propylamino)propanoate
CID 79309297
2-(cyclopropylamino)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79315091
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propan-1-ol
CID 79317833
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79319869
ethyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-hydroxybutanoate
CID 82770373
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620923
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992140
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
CID 79318223
2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide
CID 79315941
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369963
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanehydrazide
CID 79631822
methyl 4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(propylamino)butanoate
CID 63055230

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate?
The IUPAC name of methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate (CID 79315799) is methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate.
What is the SMILES notation for methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate?
The canonical SMILES for methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate is CCN1CCCC1CN(C)CC(NC)C(=O)OC.
What is the InChIKey of methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate?
The InChIKey is AUFSUEXIEKMFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-16-8-6-7-11(16)9-15(3)10-12(14-2)13(17)18-4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate?
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate has a molecular weight of 257.38 g/mol, XLogP of 0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(methylamino)propanoate is sourced from PubChem (CID 79315799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).