methyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate

C15H18N2O5 — CID 18340789

IUPACmethyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1(NC(=O)OCc2ccccc2)CNC(=O)C1
InChIInChI=1S/C15H18N2O5/c1-21-13(19)8-15(7-12(18)16-10-15)17-14(20)22-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,18)(H,17,20)
InChIKeyPMJZBYKQIBYXTM-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.73
Rot. Bonds5

About methyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate

methyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate (PubChem CID 18340789) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate
PubChem CID18340789
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Namemethyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1(NC(=O)OCc2ccccc2)CNC(=O)C1
InChIInChI=1S/C15H18N2O5/c1-21-13(19)8-15(7-12(18)16-10-15)17-14(20)22-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,18)(H,17,20)
InChIKeyPMJZBYKQIBYXTM-UHFFFAOYSA-N
XLogP0.73
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate?
The IUPAC name of methyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate (CID 18340789) is methyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate is COC(=O)CC1(NC(=O)OCc2ccccc2)CNC(=O)C1.
What is the InChIKey of methyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate?
The InChIKey is PMJZBYKQIBYXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-21-13(19)8-15(7-12(18)16-10-15)17-14(20)22-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,18)(H,17,20).
What are the key properties of methyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate?
methyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate has a molecular weight of 306.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-3-yl]acetate is sourced from PubChem (CID 18340789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).