(2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide

C15H22N4O6 — CID 44592734

IUPAC(2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)[C@H](N)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)NO
InChIInChI=1S/C15H22N4O6/c1-8(2)7-11(14(21)18-23)17-15(22)12(16)13(20)9-3-5-10(6-4-9)19(24)25/h3-6,8,11-13,20,23H,7,16H2,1-2H3,(H,17,22)(H,18,21)/t11-,12+,13-/m0/s1
InChIKeyWWWRDGWUZBSDDZ-XQQFMLRXSA-N
MW354.36 g/mol
LogP-0.01
Rot. Bonds8

About (2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide

(2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide (PubChem CID 44592734) has the molecular formula C15H22N4O6 and a molecular weight of 354.36 g/mol. Its IUPAC name is (2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide
PubChem CID44592734
Molecular FormulaC15H22N4O6
Molecular Weight354.36 g/mol
Exact Mass354.15
IUPAC Name(2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@H](NC(=O)[C@H](N)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)NO
InChIInChI=1S/C15H22N4O6/c1-8(2)7-11(14(21)18-23)17-15(22)12(16)13(20)9-3-5-10(6-4-9)19(24)25/h3-6,8,11-13,20,23H,7,16H2,1-2H3,(H,17,22)(H,18,21)/t11-,12+,13-/m0/s1
InChIKeyWWWRDGWUZBSDDZ-XQQFMLRXSA-N
XLogP-0.01
TPSA167.82 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-amino-2-hydroxy-4-(4-nitrophenyl)butanoyl]amino]-4-methylpentanoic acid
CID 1270
(2S)-N-[(2S,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propyl]-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 56661759
(2S)-2-[[3-amino-2-hydroxy-4-(4-nitrophenyl)butanoyl]amino]-4-methylpentanoic acid;hydrochloride
CID 67929377
4-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]butanoic acid
CID 44592696
(2S)-2-(hydroxyamino)-4-methyl-1-(4-nitrophenyl)pentan-1-one
CID 130354988
ethyl (2S,3R)-2,3-dihydroxy-3-(4-nitrophenyl)propanoate
CID 11149499
N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide
CID 23148382
4-methyl-2-[(4-nitrobenzoyl)amino]pentanoic acid
CID 16794620
1-amino-1-(4-nitrophenyl)propan-2-ol
CID 55268505
(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7269396
1,4-dinitrobenzene;(2S)-2-formamido-4-methylpentanoic acid
CID 174283140
2,3-dihydroxy-3-(4-nitrophenyl)propanamide
CID 171868264

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide?
The IUPAC name of (2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide (CID 44592734) is (2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for (2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide is CC(C)C[C@H](NC(=O)[C@H](N)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)NO.
What is the InChIKey of (2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide?
The InChIKey is WWWRDGWUZBSDDZ-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H22N4O6/c1-8(2)7-11(14(21)18-23)17-15(22)12(16)13(20)9-3-5-10(6-4-9)19(24)25/h3-6,8,11-13,20,23H,7,16H2,1-2H3,(H,17,22)(H,18,21)/t11-,12+,13-/m0/s1.
What are the key properties of (2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide?
(2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide has a molecular weight of 354.36 g/mol, XLogP of -0.01, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoyl]amino]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 44592734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).