[(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate

C11H12FNO3 — CID 8590359

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
SMILESC[C@@H](OC(=O)Cc1cccc(F)c1)C(N)=O
InChIInChI=1S/C11H12FNO3/c1-7(11(13)15)16-10(14)6-8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H2,13,15)/t7-/m1/s1
InChIKeyMLMQWKXXLPDLIN-SSDOTTSWSA-N
MW225.22 g/mol
LogP0.79
Rot. Bonds4

About [(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate

[(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate (PubChem CID 8590359) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
PubChem CID8590359
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
SMILESC[C@@H](OC(=O)Cc1cccc(F)c1)C(N)=O
InChIInChI=1S/C11H12FNO3/c1-7(11(13)15)16-10(14)6-8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H2,13,15)/t7-/m1/s1
InChIKeyMLMQWKXXLPDLIN-SSDOTTSWSA-N
XLogP0.79
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590345
propyl 2-(3-fluorophenyl)acetate
CID 43389577
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590380
fluoro 2-(3-fluorophenyl)acetate
CID 144594413
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590367
[(2S)-1-amino-1-oxopropan-2-yl] 3-fluorobenzoate
CID 2523873
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8589755
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8589753
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961629
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
CID 7825794
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750311
[(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590476

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate (CID 8590359) is [(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate is C[C@@H](OC(=O)Cc1cccc(F)c1)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate?
The InChIKey is MLMQWKXXLPDLIN-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-7(11(13)15)16-10(14)6-8-3-2-4-9(12)5-8/h2-5,7H,6H2,1H3,(H2,13,15)/t7-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate?
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate has a molecular weight of 225.22 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate is sourced from PubChem (CID 8590359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).