(2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid

C18H16N2O5 — CID 102273254

IUPAC(2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid
SMILESO=C(N[C@H]1C[C@@H](C(=O)O)NC1=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H16N2O5/c21-16(19-14-10-15(18(23)24)20-17(14)22)11-5-4-8-13(9-11)25-12-6-2-1-3-7-12/h1-9,14-15H,10H2,(H,19,21)(H,20,22)(H,23,24)/t14-,15-/m0/s1
InChIKeyFWVHQHSKWAYRSR-GJZGRUSLSA-N
MW340.34 g/mol
LogP1.55
Rot. Bonds5

About (2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid

(2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid (PubChem CID 102273254) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is (2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid
PubChem CID102273254
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name(2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid
SMILESO=C(N[C@H]1C[C@@H](C(=O)O)NC1=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H16N2O5/c21-16(19-14-10-15(18(23)24)20-17(14)22)11-5-4-8-13(9-11)25-12-6-2-1-3-7-12/h1-9,14-15H,10H2,(H,19,21)(H,20,22)(H,23,24)/t14-,15-/m0/s1
InChIKeyFWVHQHSKWAYRSR-GJZGRUSLSA-N
XLogP1.55
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-phenoxybenzamide
CID 2684460
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4842813
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-phenoxybenzamide
CID 91794686
N-cyclopropyl-3-[(3-phenoxybenzoyl)amino]benzamide
CID 9438583
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119386172
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
3-phenoxy-N-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methyl]benzamide
CID 22986083
N-(2-amino-1-cyclopropylethyl)-3-phenoxybenzamide
CID 86813866
N-[(3S)-7-bromo-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide
CID 175532309
N-[[(3R)-1,1-dioxothiolan-3-yl]carbamoyl]-3-phenoxybenzamide
CID 51417817

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid (CID 102273254) is (2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid is O=C(N[C@H]1C[C@@H](C(=O)O)NC1=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid?
The InChIKey is FWVHQHSKWAYRSR-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H16N2O5/c21-16(19-14-10-15(18(23)24)20-17(14)22)11-5-4-8-13(9-11)25-12-6-2-1-3-7-12/h1-9,14-15H,10H2,(H,19,21)(H,20,22)(H,23,24)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid?
(2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid has a molecular weight of 340.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-5-oxo-4-[(3-phenoxybenzoyl)amino]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102273254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).