methyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C13H24N2O5 — CID 141023522

IUPACmethyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(CN1CCC(O)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-13(2,3)20-12(18)15(8-11(17)19-4)9-14-6-5-10(16)7-14/h10,16H,5-9H2,1-4H3
InChIKeyAUPZJUZCJXWYLH-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.42
Rot. Bonds4

About methyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

methyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 141023522) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is methyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID141023522
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Namemethyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(CN1CCC(O)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-13(2,3)20-12(18)15(8-11(17)19-4)9-14-6-5-10(16)7-14/h10,16H,5-9H2,1-4H3
InChIKeyAUPZJUZCJXWYLH-UHFFFAOYSA-N
XLogP0.42
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of methyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 141023522) is methyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is COC(=O)CN(CN1CCC(O)C1)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is AUPZJUZCJXWYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-13(2,3)20-12(18)15(8-11(17)19-4)9-14-6-5-10(16)7-14/h10,16H,5-9H2,1-4H3.
What are the key properties of methyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
methyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 288.34 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxypyrrolidin-1-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 141023522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).