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

C12H24N2O2 — CID 120899081

IUPACmethyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate
SMILESCCN(CCC(=O)OC)CC1(C)CCNC1
InChIInChI=1S/C12H24N2O2/c1-4-14(8-5-11(15)16-3)10-12(2)6-7-13-9-12/h13H,4-10H2,1-3H3
InChIKeyMEDGXKKWZUNGLQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds6

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

methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate (PubChem CID 120899081) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate
PubChem CID120899081
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate
SMILESCCN(CCC(=O)OC)CC1(C)CCNC1
InChIInChI=1S/C12H24N2O2/c1-4-14(8-5-11(15)16-3)10-12(2)6-7-13-9-12/h13H,4-10H2,1-3H3
InChIKeyMEDGXKKWZUNGLQ-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate;hydrochloride
CID 120899891
methyl 3-[(3-bromophenyl)methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 120905444
methyl 3-[(3-bromophenyl)methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate;hydrochloride
CID 120905443
methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 63143846
2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]-N,N-dimethylacetamide
CID 120898773
2-[2-methoxyethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol
CID 120899797
methyl 2-[2-(2,4-dichlorophenyl)ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]acetate
CID 120903346
N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine
CID 63122896
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoate
CID 63141454
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143016
2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63143278

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate (CID 120899081) is methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate is CCN(CCC(=O)OC)CC1(C)CCNC1.
What is the InChIKey of methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate?
The InChIKey is MEDGXKKWZUNGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-14(8-5-11(15)16-3)10-12(2)6-7-13-9-12/h13H,4-10H2,1-3H3.
What are the key properties of methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate?
methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate has a molecular weight of 228.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate is sourced from PubChem (CID 120899081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).