(2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol

C9H12N2O4 — CID 30078485

IUPAC(2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol
SMILESNC[C@@H](O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H12N2O4/c10-5-8(12)6-15-9-3-1-7(2-4-9)11(13)14/h1-4,8,12H,5-6,10H2/t8-/m1/s1
InChIKeyKPZYZMIPQWYOMC-MRVPVSSYSA-N
MW212.21 g/mol
LogP0.29
Rot. Bonds5

About (2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol

(2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol (PubChem CID 30078485) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is (2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol
PubChem CID30078485
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name(2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol
SMILESNC[C@@H](O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H12N2O4/c10-5-8(12)6-15-9-3-1-7(2-4-9)11(13)14/h1-4,8,12H,5-6,10H2/t8-/m1/s1
InChIKeyKPZYZMIPQWYOMC-MRVPVSSYSA-N
XLogP0.29
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.29
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

1-(4-nitrophenoxy)-3-phenoxypropan-2-ol
CID 10493641
(2S)-4-methyl-1-(4-nitrophenoxy)pentan-2-ol
CID 139311755
(2R)-2-hydroxy-3-(4-nitrophenoxy)propanoic acid
CID 166746299
1-amino-3-(2-amino-4-nitrophenoxy)propan-2-ol;hydrochloride
CID 19835547
(2S)-1-(4-nitrophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 1122027
(2R)-1-[6-[[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]amino]hexylamino]-3-(4-nitrophenoxy)propan-2-ol
CID 42558482
1-anilino-3-(4-nitrophenoxy)propan-2-ol
CID 2883975
1-[bis(2-hydroxyethyl)amino]-3-(4-nitrophenoxy)propan-2-ol;hydrochloride
CID 44784256
bis[2-hydroxy-3-(4-nitrophenoxy)propyl]-[2-(4-nitrophenoxy)ethyl]azanium;chloride;hydrate
CID 110169409
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
(2S)-1-amino-3-[4-[[4-[(2S)-3-amino-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 34178474
1-(benzylamino)-3-(4-nitrophenoxy)propan-2-ol
CID 42614705

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol?
The IUPAC name of (2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol (CID 30078485) is (2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol is NC[C@@H](O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol?
The InChIKey is KPZYZMIPQWYOMC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12N2O4/c10-5-8(12)6-15-9-3-1-7(2-4-9)11(13)14/h1-4,8,12H,5-6,10H2/t8-/m1/s1.
What are the key properties of (2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol?
(2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol has a molecular weight of 212.21 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-(4-nitrophenoxy)propan-2-ol is sourced from PubChem (CID 30078485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).