[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate

C12H15ClN2O5S — CID 8844641

IUPAC[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)O[C@@H](C)C(N)=O
InChIInChI=1S/C12H15ClN2O5S/c1-7(12(17)20-8(2)11(14)16)15-21(18,19)10-5-3-4-9(13)6-10/h3-8,15H,1-2H3,(H2,14,16)/t7-,8-/m0/s1
InChIKeyCBSPKYIGOLGSLX-YUMQZZPRSA-N
MW334.78 g/mol
LogP0.42
Rot. Bonds6

About [(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate

[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate (PubChem CID 8844641) has the molecular formula C12H15ClN2O5S and a molecular weight of 334.78 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate
PubChem CID8844641
Molecular FormulaC12H15ClN2O5S
Molecular Weight334.78 g/mol
Exact Mass334.04
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)O[C@@H](C)C(N)=O
InChIInChI=1S/C12H15ClN2O5S/c1-7(12(17)20-8(2)11(14)16)15-21(18,19)10-5-3-4-9(13)6-10/h3-8,15H,1-2H3,(H2,14,16)/t7-,8-/m0/s1
InChIKeyCBSPKYIGOLGSLX-YUMQZZPRSA-N
XLogP0.42
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 7573425
[(2S)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate
CID 25464286
[1-(3-chlorophenyl)-1-oxopropan-2-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16572948
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 7609267
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 8848980
[(1S)-1-cyanoethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 7573426
(2R)-2-[(3-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 51472168
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9042158
methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
(3-chlorophenyl)sulfonylurea
CID 117060605
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate (CID 8844641) is [(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate is C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)O[C@@H](C)C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is CBSPKYIGOLGSLX-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H15ClN2O5S/c1-7(12(17)20-8(2)11(14)16)15-21(18,19)10-5-3-4-9(13)6-10/h3-8,15H,1-2H3,(H2,14,16)/t7-,8-/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate?
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 334.78 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 8844641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).