methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate

C10H20N2O2 — CID 106020086

IUPACmethyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate
SMILESCOC(=O)C(C)NCC1CCCN1C
InChIInChI=1S/C10H20N2O2/c1-8(10(13)14-3)11-7-9-5-4-6-12(9)2/h8-9,11H,4-7H2,1-3H3
InChIKeyFMNNSWDBGBNTCA-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds4

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

methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate (PubChem CID 106020086) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate
PubChem CID106020086
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate
SMILESCOC(=O)C(C)NCC1CCCN1C
InChIInChI=1S/C10H20N2O2/c1-8(10(13)14-3)11-7-9-5-4-6-12(9)2/h8-9,11H,4-7H2,1-3H3
InChIKeyFMNNSWDBGBNTCA-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

H-Ala-Gly-Pro-Ala-OMe
CID 155536309
methyl 2-{[(2S)-pyrrolidin-2-yl]formamido}acetate
CID 11622459
Methyl prolylglycinate
CID 13273159
methyl (2S)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 99715441
Ethyl 2-[4-[fluoro(pyrrolidin-2-yl)methyl]piperazin-1-yl]acetate
CID 23512030
(3-Amino-piperidin-1-yl)-acetic acid methyl ester
CID 61295580
ethyl 2-[4-[(S)-fluoro-[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]acetate
CID 141036423
methyl 2-[[(2S)-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]acetate
CID 16082435
methyl (2S)-2-[[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]amino]propanoate
CID 16082436
methyl 2-[methyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61164930
Glycyl-l-prolylglycine methyl ester
CID 129809276
(3,4-Diamino-pyrrolidin-1-yl)-acetic acid ethyl ester
CID 129869308

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate?
The IUPAC name of methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate (CID 106020086) is methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate is COC(=O)C(C)NCC1CCCN1C.
What is the InChIKey of methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate?
The InChIKey is FMNNSWDBGBNTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(10(13)14-3)11-7-9-5-4-6-12(9)2/h8-9,11H,4-7H2,1-3H3.
What are the key properties of methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate?
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate has a molecular weight of 200.28 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate is sourced from PubChem (CID 106020086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).