(2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid

C12H16N2O6S — CID 107831593

IUPAC(2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid
SMILESCc1csc(=O)n1CC(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C12H16N2O6S/c1-7-6-21-12(20)14(7)5-9(15)13-8(11(18)19)3-2-4-10(16)17/h6,8H,2-5H2,1H3,(H,13,15)(H,16,17)(H,18,19)/t8-/m1/s1
InChIKeyONCVKITYKCOEKF-MRVPVSSYSA-N
MW316.34 g/mol
LogP0.04
Rot. Bonds8

About (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid

(2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid (PubChem CID 107831593) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid
PubChem CID107831593
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name(2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid
SMILESCc1csc(=O)n1CC(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C12H16N2O6S/c1-7-6-21-12(20)14(7)5-9(15)13-8(11(18)19)3-2-4-10(16)17/h6,8H,2-5H2,1H3,(H,13,15)(H,16,17)(H,18,19)/t8-/m1/s1
InChIKeyONCVKITYKCOEKF-MRVPVSSYSA-N
XLogP0.04
TPSA125.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid with MolForge

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Related Compounds

2-methyl-6-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]heptanoic acid
CID 65286010
(2S)-3-methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 61137861
2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid
CID 108795013
(2S)-2-[[2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetyl]amino]pentanedioic acid
CID 108795045
(2S)-3,3-dimethyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 61144249
(2R)-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid
CID 104906174
4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]butanoic acid
CID 119352737
(2S)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid
CID 120614019
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47289704
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914378
(2R)-2-[(5-iodothiophene-3-carbonyl)amino]hexanedioic acid
CID 107831442

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid?
The IUPAC name of (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid (CID 107831593) is (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid is Cc1csc(=O)n1CC(=O)N[C@H](CCCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid?
The InChIKey is ONCVKITYKCOEKF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-7-6-21-12(20)14(7)5-9(15)13-8(11(18)19)3-2-4-10(16)17/h6,8H,2-5H2,1H3,(H,13,15)(H,16,17)(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid?
(2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid has a molecular weight of 316.34 g/mol, XLogP of 0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanedioic acid is sourced from PubChem (CID 107831593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).