(2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid

C13H20N2O4 — CID 120614689

IUPAC(2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cc(C(C)C)no1)C(=O)O
InChIInChI=1S/C13H20N2O4/c1-4-5-6-9(13(17)18)14-12(16)11-7-10(8(2)3)15-19-11/h7-9H,4-6H2,1-3H3,(H,14,16)(H,17,18)/t9-/m0/s1
InChIKeyNATLBMUPFMBWLS-VIFPVBQESA-N
MW268.31 g/mol
LogP2.17
Rot. Bonds7

About (2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid

(2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid (PubChem CID 120614689) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid
PubChem CID120614689
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cc(C(C)C)no1)C(=O)O
InChIInChI=1S/C13H20N2O4/c1-4-5-6-9(13(17)18)14-12(16)11-7-10(8(2)3)15-19-11/h7-9H,4-6H2,1-3H3,(H,14,16)(H,17,18)/t9-/m0/s1
InChIKeyNATLBMUPFMBWLS-VIFPVBQESA-N
XLogP2.17
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119360862
(2R)-3-phenyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119366892
2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119225874
4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61242547
(2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid
CID 120614519
2-(2H-triazole-4-carbonylamino)hexanoic acid
CID 63283324
(2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid
CID 120615569
3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119212226
7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid
CID 119227538
(2S)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]pentanoic acid
CID 107564294
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]hexanoic acid
CID 120615590

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid (CID 120614689) is (2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)c1cc(C(C)C)no1)C(=O)O.
What is the InChIKey of (2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid?
The InChIKey is NATLBMUPFMBWLS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-5-6-9(13(17)18)14-12(16)11-7-10(8(2)3)15-19-11/h7-9H,4-6H2,1-3H3,(H,14,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid?
(2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid has a molecular weight of 268.31 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 120614689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).