(2R)-2-(2-methoxy-6-nitroanilino)propanoic acid

C10H12N2O5 — CID 129389955

IUPAC(2R)-2-(2-methoxy-6-nitroanilino)propanoic acid
SMILESCOc1cccc([N+](=O)[O-])c1N[C@H](C)C(=O)O
InChIInChI=1S/C10H12N2O5/c1-6(10(13)14)11-9-7(12(15)16)4-3-5-8(9)17-2/h3-6,11H,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyWZIZORFTEHSBPS-ZCFIWIBFSA-N
MW240.22 g/mol
LogP1.49
Rot. Bonds5

About (2R)-2-(2-methoxy-6-nitroanilino)propanoic acid

(2R)-2-(2-methoxy-6-nitroanilino)propanoic acid (PubChem CID 129389955) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is (2R)-2-(2-methoxy-6-nitroanilino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-methoxy-6-nitroanilino)propanoic acid
PubChem CID129389955
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Name(2R)-2-(2-methoxy-6-nitroanilino)propanoic acid
SMILESCOc1cccc([N+](=O)[O-])c1N[C@H](C)C(=O)O
InChIInChI=1S/C10H12N2O5/c1-6(10(13)14)11-9-7(12(15)16)4-3-5-8(9)17-2/h3-6,11H,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyWZIZORFTEHSBPS-ZCFIWIBFSA-N
XLogP1.49
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
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

2-(2,6-dinitroanilino)propanoic acid
CID 89114421
2-(4-methoxy-3-nitroanilino)propanoic acid
CID 113385258
2-(2-methoxy-6-nitroanilino)benzoic acid
CID 121004512
N-ethyl-2-methoxy-6-nitroaniline
CID 89287909
methyl 2-[(1-methoxy-1-oxopropan-2-yl)amino]-3-nitrobenzoate
CID 119031144
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxy-6-nitrobenzamide
CID 81413714
(2S)-2-(2-chloro-3-nitrophenoxy)propanoic acid
CID 90041073
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-6-nitrobenzamide
CID 81414526
3-methoxy-2-[(2-methoxy-6-nitrobenzoyl)amino]propanoic acid
CID 81395438
N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide
CID 83058004
2-[(3-methoxy-4-nitrobenzoyl)amino]propanoic acid
CID 83767983
(2S)-2-(2-nitrophenoxy)propanoic acid
CID 841636

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxy-6-nitroanilino)propanoic acid?
The IUPAC name of (2R)-2-(2-methoxy-6-nitroanilino)propanoic acid (CID 129389955) is (2R)-2-(2-methoxy-6-nitroanilino)propanoic acid.
What is the SMILES notation for (2R)-2-(2-methoxy-6-nitroanilino)propanoic acid?
The canonical SMILES for (2R)-2-(2-methoxy-6-nitroanilino)propanoic acid is COc1cccc([N+](=O)[O-])c1N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(2-methoxy-6-nitroanilino)propanoic acid?
The InChIKey is WZIZORFTEHSBPS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-6(10(13)14)11-9-7(12(15)16)4-3-5-8(9)17-2/h3-6,11H,1-2H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-(2-methoxy-6-nitroanilino)propanoic acid?
(2R)-2-(2-methoxy-6-nitroanilino)propanoic acid has a molecular weight of 240.22 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxy-6-nitroanilino)propanoic acid is sourced from PubChem (CID 129389955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).