ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate

C13H27N3O2 — CID 81474841

IUPACethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(N)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C13H27N3O2/c1-6-18-12(17)13(3,14)9-16-7-10(2)11(8-16)15(4)5/h10-11H,6-9,14H2,1-5H3
InChIKeyNPLKFJBVSMYFSA-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.15
Rot. Bonds5

About ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate

ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate (PubChem CID 81474841) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate
PubChem CID81474841
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nameethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(N)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C13H27N3O2/c1-6-18-12(17)13(3,14)9-16-7-10(2)11(8-16)15(4)5/h10-11H,6-9,14H2,1-5H3
InChIKeyNPLKFJBVSMYFSA-UHFFFAOYSA-N
XLogP0.15
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate
CID 81474926
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-hydroxy-2-methylpropanoic acid
CID 81474873
2-amino-3-(3,4-dimethylpyrrolidin-1-yl)-2-methylpropanamide
CID 79184576
1-[2-(aminomethyl)-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474787
ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate
CID 79184776
ethyl 2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanoate
CID 81475150
ethyl 2-amino-3-(3-methoxypyrrolidin-1-yl)-2-methylpropanoate
CID 103538027
2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propanamide
CID 81475312
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propanamide
CID 81465082
ethyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 79184771
2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide
CID 81465456
1-[2-[(cyclopropylamino)methyl]-2-methylbutyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474785

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate (CID 81474841) is ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate is CCOC(=O)C(C)(N)CN1CC(C)C(N(C)C)C1.
What is the InChIKey of ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate?
The InChIKey is NPLKFJBVSMYFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-18-12(17)13(3,14)9-16-7-10(2)11(8-16)15(4)5/h10-11H,6-9,14H2,1-5H3.
What are the key properties of ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate?
ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate has a molecular weight of 257.38 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate is sourced from PubChem (CID 81474841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).