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

C11H12ClNO3 — CID 7750311

IUPAC[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
SMILESC[C@H](OC(=O)Cc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C11H12ClNO3/c1-7(11(13)15)16-10(14)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,15)/t7-/m0/s1
InChIKeyQOHAVKSGEYYTLK-ZETCQYMHSA-N
MW241.67 g/mol
LogP1.30
Rot. Bonds4

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

[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate (PubChem CID 7750311) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
PubChem CID7750311
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
SMILESC[C@H](OC(=O)Cc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C11H12ClNO3/c1-7(11(13)15)16-10(14)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,15)/t7-/m0/s1
InChIKeyQOHAVKSGEYYTLK-ZETCQYMHSA-N
XLogP1.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
CID 7825794
[1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 4024551
[(2R)-1-amino-1-oxopropan-2-yl] 2-[4-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]acetate
CID 8582599
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate
CID 42903223
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750151
1-(propylamino)propan-2-yl 2-(4-chlorophenyl)acetate
CID 82532660
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750329
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590359
[(2S)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750418
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7951044
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750150

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate (CID 7750311) is [(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate is C[C@H](OC(=O)Cc1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate?
The InChIKey is QOHAVKSGEYYTLK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-7(11(13)15)16-10(14)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H2,13,15)/t7-/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate?
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate has a molecular weight of 241.67 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 7750311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).