(2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid

C12H16N2O6 — CID 107831662

IUPAC(2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid
SMILESCc1nc(C)c(C(=O)N[C@H](CCCC(=O)O)C(=O)O)o1
InChIInChI=1S/C12H16N2O6/c1-6-10(20-7(2)13-6)11(17)14-8(12(18)19)4-3-5-9(15)16/h8H,3-5H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t8-/m1/s1
InChIKeyUWXMXJWLCYLGAM-MRVPVSSYSA-N
MW284.27 g/mol
LogP0.73
Rot. Bonds7

About (2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid

(2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid (PubChem CID 107831662) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid
PubChem CID107831662
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name(2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid
SMILESCc1nc(C)c(C(=O)N[C@H](CCCC(=O)O)C(=O)O)o1
InChIInChI=1S/C12H16N2O6/c1-6-10(20-7(2)13-6)11(17)14-8(12(18)19)4-3-5-9(15)16/h8H,3-5H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t8-/m1/s1
InChIKeyUWXMXJWLCYLGAM-MRVPVSSYSA-N
XLogP0.73
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114305863
(2S)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 81362291
(2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid
CID 114006151
(2S)-3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833856
(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
CID 107831282
2-[(2-benzhydryl-4-methyl-1,3-oxazole-5-carbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 123280512
N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114296555
(2R)-2-[[5-(aminomethyl)furan-2-carbonyl]amino]hexanedioic acid
CID 107835515
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid
CID 107831579
(2R)-2-[(5-ethylthiophene-2-carbonyl)amino]hexanedioic acid
CID 107831637
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190582

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid?
The IUPAC name of (2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid (CID 107831662) is (2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid is Cc1nc(C)c(C(=O)N[C@H](CCCC(=O)O)C(=O)O)o1.
What is the InChIKey of (2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid?
The InChIKey is UWXMXJWLCYLGAM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N2O6/c1-6-10(20-7(2)13-6)11(17)14-8(12(18)19)4-3-5-9(15)16/h8H,3-5H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid?
(2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid has a molecular weight of 284.27 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid is sourced from PubChem (CID 107831662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).