(2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

C12H16N2O6S — CID 8843088

IUPAC(2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(N)=O)cc1
InChIInChI=1S/C12H16N2O6S/c1-8(12(16)20-7-11(13)15)14-21(17,18)10-5-3-9(19-2)4-6-10/h3-6,8,14H,7H2,1-2H3,(H2,13,15)/t8-/m0/s1
InChIKeyDFUYHHSFXWECHC-QMMMGPOBSA-N
MW316.34 g/mol
LogP-0.61
Rot. Bonds7

About (2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

(2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 8843088) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
PubChem CID8843088
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name(2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(N)=O)cc1
InChIInChI=1S/C12H16N2O6S/c1-8(12(16)20-7-11(13)15)14-21(17,18)10-5-3-9(19-2)4-6-10/h3-6,8,14H,7H2,1-2H3,(H2,13,15)/t8-/m0/s1
InChIKeyDFUYHHSFXWECHC-QMMMGPOBSA-N
XLogP-0.61
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hydroxamate 15
CID 10707457
2-{[(4-Methoxyphenyl)sulfonyl]amino}propanoic acid
CID 362748
2-(4-Methoxybenzenesulfonamido)acetic acid
CID 705710
N-[(4-methoxyphenyl)sulfonyl]-D-alanine
CID 705712
N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082957
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
N-ethyl-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 1811202
N-[(4-methoxyphenyl)sulfonyl]norvaline
CID 3745781
L-Valine, N-[(4-methoxyphenyl)sulfonyl]-
CID 1133587
(2-Methoxy-isopropyl)[(4-methoxyphenyl)sulfonyl]amine
CID 2904487
2-(4-Butoxy-benzenesulfonylamino)-N-hydroxy-acetamide
CID 22004232
(R)-2-(4-But-2-ynyloxy-benzenesulfonylamino)-N-hydroxy-propionamide
CID 44327181

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of (2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (CID 8843088) is (2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for (2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(N)=O)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The InChIKey is DFUYHHSFXWECHC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-8(12(16)20-7-11(13)15)14-21(17,18)10-5-3-9(19-2)4-6-10/h3-6,8,14H,7H2,1-2H3,(H2,13,15)/t8-/m0/s1.
What are the key properties of (2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
(2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 316.34 g/mol, XLogP of -0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 8843088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).