(4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid

C20H22N2O5 — CID 59696983

IUPAC(4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid
SMILESCCc1ccc(-c2ccc(C(=O)N[C@H](CCC(=O)O)C(=O)NO)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)19(25)21-17(20(26)22-27)11-12-18(23)24/h3-10,17,27H,2,11-12H2,1H3,(H,21,25)(H,22,26)(H,23,24)/t17-/m1/s1
InChIKeyHQFKAJSOJUDSMF-QGZVFWFLSA-N
MW370.41 g/mol
LogP2.38
Rot. Bonds8

About (4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid

(4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid (PubChem CID 59696983) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is (4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid
PubChem CID59696983
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name(4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid
SMILESCCc1ccc(-c2ccc(C(=O)N[C@H](CCC(=O)O)C(=O)NO)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)19(25)21-17(20(26)22-27)11-12-18(23)24/h3-10,17,27H,2,11-12H2,1H3,(H,21,25)(H,22,26)(H,23,24)/t17-/m1/s1
InChIKeyHQFKAJSOJUDSMF-QGZVFWFLSA-N
XLogP2.38
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethylphenyl)-N-[(2S)-1-(hydroxyamino)-1-oxo-3-(propan-2-ylamino)propan-2-yl]benzamide
CID 59697433
4-(4-ethylphenyl)-N-[(2S)-1-(hydroxyamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]benzamide;methane
CID 158237152
4-(4-ethylphenyl)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 59829953
(4S)-5-oxo-4-[(4-phenylbenzoyl)amino]-5-(4-phenylbutylamino)pentanoic acid
CID 67332259
5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82347772
(4S)-5-(benzylamino)-4-[[4-(4-hydroxyphenyl)benzoyl]amino]-5-oxopentanoic acid
CID 68700542
(4S)-5-(5-hydroxypentylamino)-5-oxo-4-[(4-phenylbenzoyl)amino]pentanoic acid
CID 67334230
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
(4S)-5-[(3,4-dimethoxyphenyl)methylamino]-5-oxo-4-[(4-phenylbenzoyl)amino]pentanoic acid
CID 67333080
(4S)-5-(benzylamino)-5-oxo-4-[(4-pyridin-4-ylbenzoyl)amino]pentanoic acid
CID 68702256
6-[4-(4-ethylphenyl)phenyl]-6-oxohexanoic acid
CID 23503105
(4S)-5-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]amino]-4-[[4-(3,5-difluorophenyl)benzoyl]amino]-5-oxopentanoic acid
CID 67333219

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid?
The IUPAC name of (4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid (CID 59696983) is (4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid.
What is the SMILES notation for (4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid?
The canonical SMILES for (4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid is CCc1ccc(-c2ccc(C(=O)N[C@H](CCC(=O)O)C(=O)NO)cc2)cc1.
What is the InChIKey of (4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid?
The InChIKey is HQFKAJSOJUDSMF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)19(25)21-17(20(26)22-27)11-12-18(23)24/h3-10,17,27H,2,11-12H2,1H3,(H,21,25)(H,22,26)(H,23,24)/t17-/m1/s1.
What are the key properties of (4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid?
(4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid has a molecular weight of 370.41 g/mol, XLogP of 2.38, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[4-(4-ethylphenyl)benzoyl]amino]-5-(hydroxyamino)-5-oxopentanoic acid is sourced from PubChem (CID 59696983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).