methyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate

C14H18N2O3 — CID 57393751

IUPACmethyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C14H18N2O3/c1-19-14(18)12(10-6-3-2-4-7-10)16-9-5-8-11(16)13(15)17/h2-4,6-7,11-12H,5,8-9H2,1H3,(H2,15,17)/t11-,12+/m0/s1
InChIKeyHODLDNLDGWUEBN-NWDGAFQWSA-N
MW262.31 g/mol
LogP0.85
Rot. Bonds4

About methyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate

methyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate (PubChem CID 57393751) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate
PubChem CID57393751
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C14H18N2O3/c1-19-14(18)12(10-6-3-2-4-7-10)16-9-5-8-11(16)13(15)17/h2-4,6-7,11-12H,5,8-9H2,1H3,(H2,15,17)/t11-,12+/m0/s1
InChIKeyHODLDNLDGWUEBN-NWDGAFQWSA-N
XLogP0.85
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate 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 (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate (CID 57393751) is methyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate is COC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1C(N)=O.
What is the InChIKey of methyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate?
The InChIKey is HODLDNLDGWUEBN-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-14(18)12(10-6-3-2-4-7-10)16-9-5-8-11(16)13(15)17/h2-4,6-7,11-12H,5,8-9H2,1H3,(H2,15,17)/t11-,12+/m0/s1.
What are the key properties of methyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate?
methyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate has a molecular weight of 262.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenylacetate is sourced from PubChem (CID 57393751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).