(2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid

C11H12N2O7 — CID 80751071

IUPAC(2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H12N2O7/c1-20-9-3-2-6(13(18)19)4-7(9)10(15)12-8(5-14)11(16)17/h2-4,8,14H,5H2,1H3,(H,12,15)(H,16,17)/t8-/m1/s1
InChIKeyIVAVUYYUYAMHCU-MRVPVSSYSA-N
MW284.22 g/mol
LogP-0.22
Rot. Bonds6

About (2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid

(2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid (PubChem CID 80751071) has the molecular formula C11H12N2O7 and a molecular weight of 284.22 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid
PubChem CID80751071
Molecular FormulaC11H12N2O7
Molecular Weight284.22 g/mol
Exact Mass284.06
IUPAC Name(2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H12N2O7/c1-20-9-3-2-6(13(18)19)4-7(9)10(15)12-8(5-14)11(16)17/h2-4,8,14H,5H2,1H3,(H,12,15)(H,16,17)/t8-/m1/s1
InChIKeyIVAVUYYUYAMHCU-MRVPVSSYSA-N
XLogP-0.22
TPSA139.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]butanoic acid
CID 61242378
3-hydroxy-2-[(2-methyl-5-nitrobenzoyl)amino]propanoic acid
CID 61289814
3-hydroxy-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanoic acid
CID 61195522
2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 43357821
(2S)-2-[[2-[(2-methoxy-5-nitrobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695276
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide
CID 30481637
(2R)-3-hydroxy-2-[(2-methoxy-5-nitrophenyl)sulfonylamino]propanoic acid
CID 28544839
(2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-3-hydroxypropanoic acid
CID 61153365
2-methoxy-3-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid
CID 106107789
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide
CID 104783674
2-methoxy-5-nitrobenzoic acid;zinc
CID 67791241
(2S)-2-[(2-fluoro-3-methyl-5-nitrobenzoyl)amino]-3-hydroxypropanoic acid
CID 103296976

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid (CID 80751071) is (2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid is COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid?
The InChIKey is IVAVUYYUYAMHCU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12N2O7/c1-20-9-3-2-6(13(18)19)4-7(9)10(15)12-8(5-14)11(16)17/h2-4,8,14H,5H2,1H3,(H,12,15)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid?
(2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid has a molecular weight of 284.22 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid is sourced from PubChem (CID 80751071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).