(2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid

C20H20N2O6 — CID 175438606

IUPAC(2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCC(=O)N1CC(O)C[C@H]1C(=O)O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H20N2O6/c23-14-10-17(20(26)27)22(12-14)18(24)11-21-19(25)13-6-8-16(9-7-13)28-15-4-2-1-3-5-15/h1-9,14,17,23H,10-12H2,(H,21,25)(H,26,27)/t14?,17-/m0/s1
InChIKeyYQWJCYFULLFPEC-JRZJBTRGSA-N
MW384.39 g/mol
LogP1.26
Rot. Bonds6

About (2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 175438606) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID175438606
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name(2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCC(=O)N1CC(O)C[C@H]1C(=O)O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H20N2O6/c23-14-10-17(20(26)27)22(12-14)18(24)11-21-19(25)13-6-8-16(9-7-13)28-15-4-2-1-3-5-15/h1-9,14,17,23H,10-12H2,(H,21,25)(H,26,27)/t14?,17-/m0/s1
InChIKeyYQWJCYFULLFPEC-JRZJBTRGSA-N
XLogP1.26
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 175438650
(2S)-4-(difluoromethylidene)-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 163226671
4-cyclopropyloxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 175926869
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide
CID 30580744
4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
CID 43184306
(2S,4R)-4-fluoro-4-(methoxymethyl)-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 163226255
N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 88975994
7-[2-[(4-phenoxybenzoyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
CID 175689140
(2S,4S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 683631
(2S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 61143134
(2S,4S)-4-hydroxy-1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 64712990
5-oxo-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 175926864

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid (CID 175438606) is (2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid is O=C(NCC(=O)N1CC(O)C[C@H]1C(=O)O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is YQWJCYFULLFPEC-JRZJBTRGSA-N. The full InChI is InChI=1S/C20H20N2O6/c23-14-10-17(20(26)27)22(12-14)18(24)11-21-19(25)13-6-8-16(9-7-13)28-15-4-2-1-3-5-15/h1-9,14,17,23H,10-12H2,(H,21,25)(H,26,27)/t14?,17-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 384.39 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175438606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).