[(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate

C16H18N2O5S — CID 7414439

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESC[C@@H](OC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(N)=O
InChIInChI=1S/C16H18N2O5S/c1-11(16(17)20)23-15(19)8-9-18-24(21,22)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11,18H,8-9H2,1H3,(H2,17,20)/t11-/m1/s1
InChIKeyBAVQBGHFDAUBEO-LLVKDONJSA-N
MW350.40 g/mol
LogP0.93
Rot. Bonds7

About [(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate

[(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate (PubChem CID 7414439) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
PubChem CID7414439
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
SMILESC[C@@H](OC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(N)=O
InChIInChI=1S/C16H18N2O5S/c1-11(16(17)20)23-15(19)8-9-18-24(21,22)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11,18H,8-9H2,1H3,(H2,17,20)/t11-/m1/s1
InChIKeyBAVQBGHFDAUBEO-LLVKDONJSA-N
XLogP0.93
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414454
1-(4-fluorophenyl)ethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 18281091
(2-methoxy-2-oxoethyl) 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16624451
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 8986880
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 55421930
benzyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414463
[2-(dimethylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7806952
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16516050
cyanomethyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414466
(4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16577982
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16565170

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate (CID 7414439) is [(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate is C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
The InChIKey is BAVQBGHFDAUBEO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-11(16(17)20)23-15(19)8-9-18-24(21,22)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11,18H,8-9H2,1H3,(H2,17,20)/t11-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate?
[(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate has a molecular weight of 350.40 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 7414439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).