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

C13H24N2O3 — CID 64583947

IUPACmethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
SMILESCOCC1CCN(CC(N)(C(=O)OC)C2CC2)C1
InChIInChI=1S/C13H24N2O3/c1-17-8-10-5-6-15(7-10)9-13(14,11-3-4-11)12(16)18-2/h10-11H,3-9,14H2,1-2H3
InChIKeyFFCDLVDKVDOOAD-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.24
Rot. Bonds6

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

methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate (PubChem CID 64583947) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
PubChem CID64583947
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
SMILESCOCC1CCN(CC(N)(C(=O)OC)C2CC2)C1
InChIInChI=1S/C13H24N2O3/c1-17-8-10-5-6-15(7-10)9-13(14,11-3-4-11)12(16)18-2/h10-11H,3-9,14H2,1-2H3
InChIKeyFFCDLVDKVDOOAD-UHFFFAOYSA-N
XLogP0.24
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-2-cyclopropyl-3-(3-methoxypyrrolidin-1-yl)propanoate
CID 103538014
methyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907282
methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106588642
2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 64810845
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64583342
methyl 2-amino-2-cyclopropyl-3-(4-methylsulfonylpiperazin-1-yl)propanoate
CID 63927438
methyl 2-amino-2-cyclopropyl-3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 63908493
ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 64582135
ethyl 2-cyclopropyl-3-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanoate
CID 106588689
methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)propanoate
CID 65282048
ethyl 2-amino-2-cyclopropyl-3-(3-methylpyrrolidin-1-yl)propanoate
CID 63910147
methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate
CID 63971410

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate (CID 64583947) is methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate is COCC1CCN(CC(N)(C(=O)OC)C2CC2)C1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate?
The InChIKey is FFCDLVDKVDOOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-17-8-10-5-6-15(7-10)9-13(14,11-3-4-11)12(16)18-2/h10-11H,3-9,14H2,1-2H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate?
methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate has a molecular weight of 256.35 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclopropyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate is sourced from PubChem (CID 64583947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).