(2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid

C14H17NO4 — CID 10332958

IUPAC(2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)COCc1ccccc1
InChIInChI=1S/C14H17NO4/c16-13(15-8-4-7-12(15)14(17)18)10-19-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)/t12-/m0/s1
InChIKeyNNEPDDYSIULHPB-LBPRGKRZSA-N
MW263.29 g/mol
LogP1.28
Rot. Bonds5

About (2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 10332958) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid
PubChem CID10332958
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)COCc1ccccc1
InChIInChI=1S/C14H17NO4/c16-13(15-8-4-7-12(15)14(17)18)10-19-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)/t12-/m0/s1
InChIKeyNNEPDDYSIULHPB-LBPRGKRZSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid (CID 10332958) is (2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)COCc1ccccc1.
What is the InChIKey of (2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NNEPDDYSIULHPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(15-8-4-7-12(15)14(17)18)10-19-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-phenylmethoxyacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10332958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).