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

C16H31N3O2 — CID 79309509

IUPACethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate
SMILESCCOC(=O)C(N)(CN(C)CC1CCCN1CC)C1CC1
InChIInChI=1S/C16H31N3O2/c1-4-19-10-6-7-14(19)11-18(3)12-16(17,13-8-9-13)15(20)21-5-2/h13-14H,4-12,17H2,1-3H3
InChIKeyLJKXWEBHBZVGBI-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.07
Rot. Bonds8

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

ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate (PubChem CID 79309509) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate
PubChem CID79309509
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nameethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate
SMILESCCOC(=O)C(N)(CN(C)CC1CCCN1CC)C1CC1
InChIInChI=1S/C16H31N3O2/c1-4-19-10-6-7-14(19)11-18(3)12-16(17,13-8-9-13)15(20)21-5-2/h13-14H,4-12,17H2,1-3H3
InChIKeyLJKXWEBHBZVGBI-UHFFFAOYSA-N
XLogP1.07
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate
CID 63906608
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620923
ethyl 2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentanoate
CID 79309508
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 79318789
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropanehydrazide
CID 79631822
ethyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-hydroxybutanoate
CID 82770373
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2-dimethylpentane-1,2-diamine
CID 79319921
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115277941
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropanenitrile
CID 79315150
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
ethyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-(propylamino)propanoate
CID 79309297

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate (CID 79309509) is ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate is CCOC(=O)C(N)(CN(C)CC1CCCN1CC)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate?
The InChIKey is LJKXWEBHBZVGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-19-10-6-7-14(19)11-18(3)12-16(17,13-8-9-13)15(20)21-5-2/h13-14H,4-12,17H2,1-3H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate?
ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate has a molecular weight of 297.44 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoate is sourced from PubChem (CID 79309509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).