ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate

C12H24N2O2 — CID 79314533

IUPACethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
SMILESCCOC(=O)CCN(C)CC1CCCN1C
InChIInChI=1S/C12H24N2O2/c1-4-16-12(15)7-9-13(2)10-11-6-5-8-14(11)3/h11H,4-10H2,1-3H3
InChIKeyOACBTZSTZVBHCL-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.97
Rot. Bonds6

About ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate

ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate (PubChem CID 79314533) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
PubChem CID79314533
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
SMILESCCOC(=O)CCN(C)CC1CCCN1C
InChIInChI=1S/C12H24N2O2/c1-4-16-12(15)7-9-13(2)10-11-6-5-8-14(11)3/h11H,4-10H2,1-3H3
InChIKeyOACBTZSTZVBHCL-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62012811
methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate
CID 79313620
6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid
CID 79314027
ethyl 3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62546082
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanehydrazide
CID 79631821
1-(4-bromophenyl)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79312393
2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79315867
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040
1-(3-bromophenyl)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-one
CID 79313470
5-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 79314072
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine
CID 79319044

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate?
The IUPAC name of ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate (CID 79314533) is ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate?
The canonical SMILES for ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate is CCOC(=O)CCN(C)CC1CCCN1C.
What is the InChIKey of ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate?
The InChIKey is OACBTZSTZVBHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-16-12(15)7-9-13(2)10-11-6-5-8-14(11)3/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate?
ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate has a molecular weight of 228.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate is sourced from PubChem (CID 79314533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).