(2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid

C11H17N3O6S — CID 119243729

IUPAC(2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C11H17N3O6S/c1-5-9(8(4)20-13-5)21(18,19)14-6(2)10(15)12-7(3)11(16)17/h6-7,14H,1-4H3,(H,12,15)(H,16,17)/t6?,7-/m1/s1
InChIKeyKLQCMWPOMPOVKV-COBSHVIPSA-N
MW319.34 g/mol
LogP-0.45
Rot. Bonds6

About (2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid

(2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid (PubChem CID 119243729) has the molecular formula C11H17N3O6S and a molecular weight of 319.34 g/mol. Its IUPAC name is (2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
PubChem CID119243729
Molecular FormulaC11H17N3O6S
Molecular Weight319.34 g/mol
Exact Mass319.08
IUPAC Name(2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C11H17N3O6S/c1-5-9(8(4)20-13-5)21(18,19)14-6(2)10(15)12-7(3)11(16)17/h6-7,14H,1-4H3,(H,12,15)(H,16,17)/t6?,7-/m1/s1
InChIKeyKLQCMWPOMPOVKV-COBSHVIPSA-N
XLogP-0.45
TPSA138.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]-2-phenylacetic acid
CID 119372302
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide
CID 119501278
2-[2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]ethylsulfanyl]acetic acid
CID 119241417
cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid
CID 120676458
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 79027700
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110408001
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 51925027
N-[(2S)-1-[2-(4-fluorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8870743
N-[1-(aminomethyl)cyclopentyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 119565976
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoyl-(2-methylpropyl)amino]acetic acid
CID 119192641
3,5-dimethyl-N-[(2S)-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]propan-2-yl]-1,2-oxazole-4-sulfonamide
CID 36838227
(2S)-N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 37293945

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid?
The IUPAC name of (2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid (CID 119243729) is (2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid is Cc1noc(C)c1S(=O)(=O)NC(C)C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid?
The InChIKey is KLQCMWPOMPOVKV-COBSHVIPSA-N. The full InChI is InChI=1S/C11H17N3O6S/c1-5-9(8(4)20-13-5)21(18,19)14-6(2)10(15)12-7(3)11(16)17/h6-7,14H,1-4H3,(H,12,15)(H,16,17)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid?
(2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid has a molecular weight of 319.34 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid is sourced from PubChem (CID 119243729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).