methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate

C10H20N2O3 — CID 64583945

IUPACmethyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
SMILESCOCC1CCN(CC(N)C(=O)OC)C1
InChIInChI=1S/C10H20N2O3/c1-14-7-8-3-4-12(5-8)6-9(11)10(13)15-2/h8-9H,3-7,11H2,1-2H3
InChIKeyALEBCAHWEMQKTL-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.55
Rot. Bonds5

About methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate

methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate (PubChem CID 64583945) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
PubChem CID64583945
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
SMILESCOCC1CCN(CC(N)C(=O)OC)C1
InChIInChI=1S/C10H20N2O3/c1-14-7-8-3-4-12(5-8)6-9(11)10(13)15-2/h8-9H,3-7,11H2,1-2H3
InChIKeyALEBCAHWEMQKTL-UHFFFAOYSA-N
XLogP-0.55
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64599478
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate
CID 64582141
methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
CID 83981066
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 63165298
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
CID 64583951
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 64581345
3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propanoic acid
CID 80995914
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate (CID 64583945) is methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate is COCC1CCN(CC(N)C(=O)OC)C1.
What is the InChIKey of methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate?
The InChIKey is ALEBCAHWEMQKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-14-7-8-3-4-12(5-8)6-9(11)10(13)15-2/h8-9H,3-7,11H2,1-2H3.
What are the key properties of methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate?
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate has a molecular weight of 216.28 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 64583945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).