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

C11H14N2O6 — CID 114006151

IUPAC(2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid
SMILESCc1oncc1C(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C11H14N2O6/c1-6-7(5-12-19-6)10(16)13-8(11(17)18)3-2-4-9(14)15/h5,8H,2-4H2,1H3,(H,13,16)(H,14,15)(H,17,18)/t8-/m1/s1
InChIKeyICBYXWPBQLFMHV-MRVPVSSYSA-N
MW270.24 g/mol
LogP0.42
Rot. Bonds7

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

(2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid (PubChem CID 114006151) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is (2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid
PubChem CID114006151
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name(2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid
SMILESCc1oncc1C(=O)N[C@H](CCCC(=O)O)C(=O)O
InChIInChI=1S/C11H14N2O6/c1-6-7(5-12-19-6)10(16)13-8(11(17)18)3-2-4-9(14)15/h5,8H,2-4H2,1H3,(H,13,16)(H,14,15)(H,17,18)/t8-/m1/s1
InChIKeyICBYXWPBQLFMHV-MRVPVSSYSA-N
XLogP0.42
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 82786221
(2R)-4-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 30053503
3-(1H-imidazol-5-yl)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 16774910
5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 1477707
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]hexanedioic acid
CID 107831579
2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 62675825
(2R)-2-[(2-bromo-3-methylbenzoyl)amino]hexanedioic acid
CID 107981579
N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43501123
(2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid
CID 107831662
(2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107830037
(2R)-2-[(2-methylpyridine-4-carbonyl)amino]hexanedioic acid
CID 107831282
N-(1-chlorobutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 114294294

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid?
The IUPAC name of (2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid (CID 114006151) is (2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid is Cc1oncc1C(=O)N[C@H](CCCC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid?
The InChIKey is ICBYXWPBQLFMHV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O6/c1-6-7(5-12-19-6)10(16)13-8(11(17)18)3-2-4-9(14)15/h5,8H,2-4H2,1H3,(H,13,16)(H,14,15)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid?
(2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid has a molecular weight of 270.24 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid is sourced from PubChem (CID 114006151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).