ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate

C11H14FNO3 — CID 125473012

IUPACethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
SMILESCCOC(=O)C[C@@H](NO)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3/c1-2-16-11(14)7-10(13-15)8-3-5-9(12)6-4-8/h3-6,10,13,15H,2,7H2,1H3/t10-/m1/s1
InChIKeyASQPUIZOCXLZQQ-SNVBAGLBSA-N
MW227.23 g/mol
LogP1.80
Rot. Bonds5

About ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate

ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate (PubChem CID 125473012) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate.

Molecular Properties

Compound Nameethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
PubChem CID125473012
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Nameethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
SMILESCCOC(=O)C[C@@H](NO)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3/c1-2-16-11(14)7-10(13-15)8-3-5-9(12)6-4-8/h3-6,10,13,15H,2,7H2,1H3/t10-/m1/s1
InChIKeyASQPUIZOCXLZQQ-SNVBAGLBSA-N
XLogP1.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3S)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate
CID 125473011
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
ethyl 2-[1-(4-fluorophenyl)propylamino]acetate
CID 60811601
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
ethyl 3-(2-aminopentanoylamino)-3-(4-fluorophenyl)propanoate
CID 119307170
ethyl 3-[(5-amino-2-methylbenzoyl)amino]-3-(4-fluorophenyl)propanoate
CID 120626395
ethyl 3-(ethylamino)-4-(4-fluorophenyl)-4-oxobutanoate
CID 82322076
ethyl 4-[3-ethoxy-1-(methylamino)-3-oxopropyl]benzoate
CID 143084603
ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 3534137
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
ethyl 3-(4-fluorophenyl)-3-oxopropanoate;propane
CID 174275035
ethyl 3-(4-fluoroanilino)-3-(4-phenylmethoxyphenyl)propanoate
CID 75092145

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate?
The IUPAC name of ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate (CID 125473012) is ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate.
What is the SMILES notation for ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate?
The canonical SMILES for ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate is CCOC(=O)C[C@@H](NO)c1ccc(F)cc1.
What is the InChIKey of ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate?
The InChIKey is ASQPUIZOCXLZQQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-2-16-11(14)7-10(13-15)8-3-5-9(12)6-4-8/h3-6,10,13,15H,2,7H2,1H3/t10-/m1/s1.
What are the key properties of ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate?
ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate has a molecular weight of 227.23 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-(4-fluorophenyl)-3-(hydroxyamino)propanoate is sourced from PubChem (CID 125473012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).