(3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide

C15H23N3O4 — CID 59697686

IUPAC(3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide
SMILESC[C@@H](O)[C@H](NC(=O)C[C@H](N)CCc1ccccc1)C(=O)NO
InChIInChI=1S/C15H23N3O4/c1-10(19)14(15(21)18-22)17-13(20)9-12(16)8-7-11-5-3-2-4-6-11/h2-6,10,12,14,19,22H,7-9,16H2,1H3,(H,17,20)(H,18,21)/t10-,12-,14+/m1/s1
InChIKeyKUJJJYMXBLREOZ-QKCSRTOESA-N
MW309.37 g/mol
LogP-0.29
Rot. Bonds8

About (3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide

(3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide (PubChem CID 59697686) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide
PubChem CID59697686
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name(3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide
SMILESC[C@@H](O)[C@H](NC(=O)C[C@H](N)CCc1ccccc1)C(=O)NO
InChIInChI=1S/C15H23N3O4/c1-10(19)14(15(21)18-22)17-13(20)9-12(16)8-7-11-5-3-2-4-6-11/h2-6,10,12,14,19,22H,7-9,16H2,1H3,(H,17,20)(H,18,21)/t10-,12-,14+/m1/s1
InChIKeyKUJJJYMXBLREOZ-QKCSRTOESA-N
XLogP-0.29
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

(2S,3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]butanamide
CID 59697972
N,2-dihydroxy-4-phenylbutanamide
CID 11458241
(2S,3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]butanamide;methane
CID 158810597
methyl (2S,3R)-3-hydroxy-2-(3-phenylpropanoylamino)butanoate
CID 102464818
(2S)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]pentanediamide
CID 59697968
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]butanoic acid
CID 104984129
3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
CID 119948730
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[(3-phenylpropylamino)methyl]benzamide;methane
CID 159832303
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2S)-N'-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-methyl-2-(4-phenylphenyl)heptanediamide
CID 87102928

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide?
The IUPAC name of (3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide (CID 59697686) is (3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide.
What is the SMILES notation for (3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide?
The canonical SMILES for (3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide is C[C@@H](O)[C@H](NC(=O)C[C@H](N)CCc1ccccc1)C(=O)NO.
What is the InChIKey of (3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide?
The InChIKey is KUJJJYMXBLREOZ-QKCSRTOESA-N. The full InChI is InChI=1S/C15H23N3O4/c1-10(19)14(15(21)18-22)17-13(20)9-12(16)8-7-11-5-3-2-4-6-11/h2-6,10,12,14,19,22H,7-9,16H2,1H3,(H,17,20)(H,18,21)/t10-,12-,14+/m1/s1.
What are the key properties of (3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide?
(3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide has a molecular weight of 309.37 g/mol, XLogP of -0.29, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-5-phenylpentanamide is sourced from PubChem (CID 59697686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).