(2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid

C10H12N2O5 — CID 45157639

IUPAC(2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid
SMILESN[C@H](Cc1ccc([N+](=O)[O-])cc1)[C@H](O)C(=O)O
InChIInChI=1S/C10H12N2O5/c11-8(9(13)10(14)15)5-6-1-3-7(4-2-6)12(16)17/h1-4,8-9,13H,5,11H2,(H,14,15)/t8-,9+/m1/s1
InChIKeyCSDZRIXBILAEBT-BDAKNGLRSA-N
MW240.22 g/mol
LogP-0.09
Rot. Bonds5

About (2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid

(2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid (PubChem CID 45157639) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is (2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid
PubChem CID45157639
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Name(2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid
SMILESN[C@H](Cc1ccc([N+](=O)[O-])cc1)[C@H](O)C(=O)O
InChIInChI=1S/C10H12N2O5/c11-8(9(13)10(14)15)5-6-1-3-7(4-2-6)12(16)17/h1-4,8-9,13H,5,11H2,(H,14,15)/t8-,9+/m1/s1
InChIKeyCSDZRIXBILAEBT-BDAKNGLRSA-N
XLogP-0.09
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-chloro-2-hydroxy-4-(4-nitrophenyl)butanamide
CID 153324526
2-[[3-amino-2-hydroxy-4-(4-nitrophenyl)butanoyl]amino]-4-methylpentanoic acid
CID 1270
(2S)-2-[[3-amino-2-hydroxy-4-(4-nitrophenyl)butanoyl]amino]-4-methylpentanoic acid;hydrochloride
CID 67929377
(2S,3S)-2-amino-3-[(4-nitrophenyl)methyl]butanedioic acid
CID 11659028
2-amino-3-(4-nitrophenyl)propanoic acid;ethane;methane
CID 143611582
1-nitro-2-(4-nitrophenyl)ethanamine
CID 87584339
magnesium;2-[(4-nitrophenyl)methyl]propanedioate;dihydrate
CID 139719111
2-(hydroxyamino)-3-(4-nitrophenyl)propanoic acid
CID 87126063
2,3-dimethyl-4-(4-nitrophenyl)butanoic acid
CID 70037704
1-chloro-2-(4-nitrophenyl)ethanamine
CID 70573232
(1R)-1,2-bis(4-nitrophenyl)ethanol
CID 7046140
bis[(4-nitrophenyl)methyl] (2R,3R)-2,3-dihydroxybutanedioate
CID 10432242

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid?
The IUPAC name of (2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid (CID 45157639) is (2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid.
What is the SMILES notation for (2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid?
The canonical SMILES for (2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid is N[C@H](Cc1ccc([N+](=O)[O-])cc1)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid?
The InChIKey is CSDZRIXBILAEBT-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H12N2O5/c11-8(9(13)10(14)15)5-6-1-3-7(4-2-6)12(16)17/h1-4,8-9,13H,5,11H2,(H,14,15)/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid?
(2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid has a molecular weight of 240.22 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-2-hydroxy-4-(4-nitrophenyl)butanoic acid is sourced from PubChem (CID 45157639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).