[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate

C12H13FN2O4 — CID 7877831

IUPAC[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C12H13FN2O4/c1-7(11(14)17)19-10(16)6-15-12(18)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18)/t7-/m0/s1
InChIKeyQDHWBSJFCKDKMV-ZETCQYMHSA-N
MW268.24 g/mol
LogP-0.03
Rot. Bonds5

About [(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate

[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate (PubChem CID 7877831) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
PubChem CID7877831
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESC[C@H](OC(=O)CNC(=O)c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C12H13FN2O4/c1-7(11(14)17)19-10(16)6-15-12(18)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18)/t7-/m0/s1
InChIKeyQDHWBSJFCKDKMV-ZETCQYMHSA-N
XLogP-0.03
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854498
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920750
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885655
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833356
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921301
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884811
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270269
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877892
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 42978956
(1-amino-1-oxopropan-2-yl) 4-(4-fluorophenyl)-4-oxobutanoate
CID 3466820
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884403
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877432

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate (CID 7877831) is [(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate is C[C@H](OC(=O)CNC(=O)c1ccc(F)cc1)C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate?
The InChIKey is QDHWBSJFCKDKMV-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H13FN2O4/c1-7(11(14)17)19-10(16)6-15-12(18)8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18)/t7-/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate?
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate has a molecular weight of 268.24 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 7877831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).