(2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid

C12H18N2O4 — CID 120615569

IUPAC(2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)Cc1cc(C)on1)C(=O)O
InChIInChI=1S/C12H18N2O4/c1-3-4-5-10(12(16)17)13-11(15)7-9-6-8(2)18-14-9/h6,10H,3-5,7H2,1-2H3,(H,13,15)(H,16,17)/t10-/m0/s1
InChIKeyIVZVTJZNDLENBT-JTQLQIEISA-N
MW254.29 g/mol
LogP1.29
Rot. Bonds7

About (2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid

(2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid (PubChem CID 120615569) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is (2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid
PubChem CID120615569
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name(2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)Cc1cc(C)on1)C(=O)O
InChIInChI=1S/C12H18N2O4/c1-3-4-5-10(12(16)17)13-11(15)7-9-6-8(2)18-14-9/h6,10H,3-5,7H2,1-2H3,(H,13,15)(H,16,17)/t10-/m0/s1
InChIKeyIVZVTJZNDLENBT-JTQLQIEISA-N
XLogP1.29
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(5,7-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]hexanoic acid
CID 108794587
(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]hexanoic acid
CID 120615590
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid
CID 64669367
(2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 107827226
(2S)-2-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 107146910
(2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid
CID 39165215
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid
CID 43469726
3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid
CID 91647036
(2R)-2-methyl-3-[4-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]propanoic acid
CID 129401481
2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]non-8-enoic acid
CID 67296662
(2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid
CID 120614689
(2S)-2-(3-oxobutanoylamino)hexanoic acid
CID 119089590

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid (CID 120615569) is (2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid is CCCC[C@H](NC(=O)Cc1cc(C)on1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid?
The InChIKey is IVZVTJZNDLENBT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-4-5-10(12(16)17)13-11(15)7-9-6-8(2)18-14-9/h6,10H,3-5,7H2,1-2H3,(H,13,15)(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid?
(2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 120615569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).