2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid

C14H17NO4 — CID 44828596

IUPAC2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid
SMILESO=C(O)CC1CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H17NO4/c16-13(17)8-12-6-7-15(9-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChIKeyIUYVTLSEDKQGQY-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.12
Rot. Bonds4

About 2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid

2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid (PubChem CID 44828596) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid
PubChem CID44828596
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid
SMILESO=C(O)CC1CCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H17NO4/c16-13(17)8-12-6-7-15(9-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChIKeyIUYVTLSEDKQGQY-UHFFFAOYSA-N
XLogP2.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid 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 2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid (CID 44828596) is 2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid is O=C(O)CC1CCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of 2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid?
The InChIKey is IUYVTLSEDKQGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(17)8-12-6-7-15(9-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17).
What are the key properties of 2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid?
2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid has a molecular weight of 263.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 44828596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).