(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate

C11H12ClNO3 — CID 42903223

IUPAC(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate
SMILESCC(OC(=O)Cc1ccccc1Cl)C(N)=O
InChIInChI=1S/C11H12ClNO3/c1-7(11(13)15)16-10(14)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeyKKCGQRLMLFKCGR-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.30
Rot. Bonds4

About (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate

(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate (PubChem CID 42903223) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate
PubChem CID42903223
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate
SMILESCC(OC(=O)Cc1ccccc1Cl)C(N)=O
InChIInChI=1S/C11H12ClNO3/c1-7(11(13)15)16-10(14)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeyKKCGQRLMLFKCGR-UHFFFAOYSA-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-chlorophenyl)acetate
CID 7750311
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 8632858
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 46618850
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 8632417
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 2606014
ethyl 5-[(2S)-2-[2-(2-chlorophenyl)acetyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8632950
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
CID 2554330
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 8632549
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 55448922
2-chloroethyl 2-(2-chlorophenyl)acetate
CID 176908956
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
CID 7825794
methyl 5-[(2R)-2-[2-(2-chlorophenyl)acetyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8633019

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate (CID 42903223) is (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate is CC(OC(=O)Cc1ccccc1Cl)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate?
The InChIKey is KKCGQRLMLFKCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-7(11(13)15)16-10(14)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H2,13,15).
What are the key properties of (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate?
(1-amino-1-oxopropan-2-yl) 2-(2-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 (1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate is sourced from PubChem (CID 42903223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).