2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol

C10H14N2O5 — CID 171216386

IUPAC2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol
SMILESCOc1cc([N+](=O)[O-])cc([C@H](N)CCO)c1O
InChIInChI=1S/C10H14N2O5/c1-17-9-5-6(12(15)16)4-7(10(9)14)8(11)2-3-13/h4-5,8,13-14H,2-3,11H2,1H3/t8-/m1/s1
InChIKeyNOLNNEFYVBOZDK-MRVPVSSYSA-N
MW242.23 g/mol
LogP0.69
Rot. Bonds5

About 2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol

2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol (PubChem CID 171216386) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol
PubChem CID171216386
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol
SMILESCOc1cc([N+](=O)[O-])cc([C@H](N)CCO)c1O
InChIInChI=1S/C10H14N2O5/c1-17-9-5-6(12(15)16)4-7(10(9)14)8(11)2-3-13/h4-5,8,13-14H,2-3,11H2,1H3/t8-/m1/s1
InChIKeyNOLNNEFYVBOZDK-MRVPVSSYSA-N
XLogP0.69
TPSA118.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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-[(1S)-1-amino-4-methylpentyl]-6-methoxy-4-nitrophenol
CID 171236013
3-amino-3-(2-hydroxy-3-methoxy-5-nitrophenyl)propanamide
CID 170875730
(3R)-3-amino-3-(2-hydroxy-3-methoxy-5-nitrophenyl)propanenitrile
CID 171260699
2-[(1S)-1-amino-3,3,3-trifluoropropyl]-6-methoxy-4-nitrophenol
CID 171235989
2-[(1S)-1-amino-3,3,3-trifluoropropyl]-6-methoxy-4-nitrophenol;hydrochloride
CID 171235990
2-[(1S,2R)-1-amino-2-hydroxy-5-methylhexyl]-6-methoxy-4-nitrophenol
CID 171271832
2-(1-amino-3-hydroxypropyl)-6-(chloromethyl)-4-nitrophenol;hydrochloride
CID 170874615
ethyl (3S)-3-amino-2-fluoro-3-(2-hydroxy-3-methoxy-5-nitrophenyl)propanoate;hydrochloride
CID 171251821
2-[(R)-amino-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-6-methoxy-4-nitrophenol
CID 171191250
2-[(S)-amino-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-6-methoxy-4-nitrophenol
CID 171191590
ethyl (3S)-3-amino-2,2-difluoro-3-(2-hydroxy-3-methoxy-5-nitrophenyl)propanoate
CID 171251805
2-[(R)-amino(thiophen-3-yl)methyl]-6-methoxy-4-nitrophenol;hydrochloride
CID 171236006

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol?
The IUPAC name of 2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol (CID 171216386) is 2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol.
What is the SMILES notation for 2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol?
The canonical SMILES for 2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol is COc1cc([N+](=O)[O-])cc([C@H](N)CCO)c1O.
What is the InChIKey of 2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol?
The InChIKey is NOLNNEFYVBOZDK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-17-9-5-6(12(15)16)4-7(10(9)14)8(11)2-3-13/h4-5,8,13-14H,2-3,11H2,1H3/t8-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol?
2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol has a molecular weight of 242.23 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-3-hydroxypropyl]-6-methoxy-4-nitrophenol is sourced from PubChem (CID 171216386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).