2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid

C14H23N3O6S — CID 119192641

IUPAC2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C14H23N3O6S/c1-8(2)6-17(7-12(18)19)14(20)10(4)16-24(21,22)13-9(3)15-23-11(13)5/h8,10,16H,6-7H2,1-5H3,(H,18,19)
InChIKeyNJQYEGVRDOLWOV-UHFFFAOYSA-N
MW361.42 g/mol
LogP0.53
Rot. Bonds8

About 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid

2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 119192641) has the molecular formula C14H23N3O6S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid
PubChem CID119192641
Molecular FormulaC14H23N3O6S
Molecular Weight361.42 g/mol
Exact Mass361.13
IUPAC Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C14H23N3O6S/c1-8(2)6-17(7-12(18)19)14(20)10(4)16-24(21,22)13-9(3)15-23-11(13)5/h8,10,16H,6-7H2,1-5H3,(H,18,19)
InChIKeyNJQYEGVRDOLWOV-UHFFFAOYSA-N
XLogP0.53
TPSA129.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid (CID 119192641) is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid is Cc1noc(C)c1S(=O)(=O)NC(C)C(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is NJQYEGVRDOLWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O6S/c1-8(2)6-17(7-12(18)19)14(20)10(4)16-24(21,22)13-9(3)15-23-11(13)5/h8,10,16H,6-7H2,1-5H3,(H,18,19).
What are the key properties of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid?
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 361.42 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119192641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).