2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid

C15H20N2O7S — CID 174930313

IUPAC2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid
SMILESCOc1ccc(CC(C)N(CC(=O)O)S(=O)(=O)N2CCOC2=O)cc1
InChIInChI=1S/C15H20N2O7S/c1-11(9-12-3-5-13(23-2)6-4-12)17(10-14(18)19)25(21,22)16-7-8-24-15(16)20/h3-6,11H,7-10H2,1-2H3,(H,18,19)
InChIKeyVZRULAFLTFWKHC-UHFFFAOYSA-N
MW372.40 g/mol
LogP0.71
Rot. Bonds8

About 2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid

2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid (PubChem CID 174930313) has the molecular formula C15H20N2O7S and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid
PubChem CID174930313
Molecular FormulaC15H20N2O7S
Molecular Weight372.40 g/mol
Exact Mass372.10
IUPAC Name2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid
SMILESCOc1ccc(CC(C)N(CC(=O)O)S(=O)(=O)N2CCOC2=O)cc1
InChIInChI=1S/C15H20N2O7S/c1-11(9-12-3-5-13(23-2)6-4-12)17(10-14(18)19)25(21,22)16-7-8-24-15(16)20/h3-6,11H,7-10H2,1-2H3,(H,18,19)
InChIKeyVZRULAFLTFWKHC-UHFFFAOYSA-N
XLogP0.71
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid
CID 174930312
3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 143433402
2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone
CID 56784565
2-[(4-methoxyphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 61183174
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
4-(1-hydroxyethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 146157496
(4R)-4-[(1R)-1-hydroxyethyl]-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 90423794
2-[1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
CID 121482370
3-(diethylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82352334
2-[ethyl-[(4-methoxyphenyl)-methylcarbamoyl]amino]acetic acid
CID 62002689
3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane
CID 144585780
3-(butan-2-ylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82350646

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid?
The IUPAC name of 2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid (CID 174930313) is 2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid?
The canonical SMILES for 2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid is COc1ccc(CC(C)N(CC(=O)O)S(=O)(=O)N2CCOC2=O)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid?
The InChIKey is VZRULAFLTFWKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O7S/c1-11(9-12-3-5-13(23-2)6-4-12)17(10-14(18)19)25(21,22)16-7-8-24-15(16)20/h3-6,11H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid?
2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid has a molecular weight of 372.40 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)propan-2-yl-[(2-oxo-1,3-oxazolidin-3-yl)sulfonyl]amino]acetic acid is sourced from PubChem (CID 174930313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).