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

C14H15NO5 — CID 14033079

IUPAC(2S)-1-(2-benzoyloxyacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(OCC(=O)N1CCC[C@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C14H15NO5/c16-12(15-8-4-7-11(15)13(17)18)9-20-14(19)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,17,18)/t11-/m0/s1
InChIKeyGZXGHZDSFNQRKK-NSHDSACASA-N
MW277.28 g/mol
LogP0.92
Rot. Bonds4

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

(2S)-1-(2-benzoyloxyacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 14033079) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2S)-1-(2-benzoyloxyacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-benzoyloxyacetyl)pyrrolidine-2-carboxylic acid
PubChem CID14033079
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name(2S)-1-(2-benzoyloxyacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(OCC(=O)N1CCC[C@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C14H15NO5/c16-12(15-8-4-7-11(15)13(17)18)9-20-14(19)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,17,18)/t11-/m0/s1
InChIKeyGZXGHZDSFNQRKK-NSHDSACASA-N
XLogP0.92
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-benzoyloxyacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-benzoyloxyacetyl)pyrrolidine-2-carboxylic acid (CID 14033079) is (2S)-1-(2-benzoyloxyacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-benzoyloxyacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-benzoyloxyacetyl)pyrrolidine-2-carboxylic acid is O=C(OCC(=O)N1CCC[C@H]1C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-1-(2-benzoyloxyacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GZXGHZDSFNQRKK-NSHDSACASA-N. The full InChI is InChI=1S/C14H15NO5/c16-12(15-8-4-7-11(15)13(17)18)9-20-14(19)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-1-(2-benzoyloxyacetyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-benzoyloxyacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-benzoyloxyacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 14033079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).