3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid

C11H18N2O3 — CID 106372714

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid
SMILESCc1nc(CNC(C)C(C)C(=O)O)oc1C
InChIInChI=1S/C11H18N2O3/c1-6(11(14)15)7(2)12-5-10-13-8(3)9(4)16-10/h6-7,12H,5H2,1-4H3,(H,14,15)
InChIKeyOEGZKSHBANUMPM-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.49
Rot. Bonds5

About 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid

3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid (PubChem CID 106372714) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid
PubChem CID106372714
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid
SMILESCc1nc(CNC(C)C(C)C(=O)O)oc1C
InChIInChI=1S/C11H18N2O3/c1-6(11(14)15)7(2)12-5-10-13-8(3)9(4)16-10/h6-7,12H,5H2,1-4H3,(H,14,15)
InChIKeyOEGZKSHBANUMPM-UHFFFAOYSA-N
XLogP1.49
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-difluoropropan-2-amine
CID 106370363
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxypropanoic acid
CID 106373630
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid
CID 106371994
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
CID 62109509
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methylbutan-1-ol
CID 79248987
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 106372677
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpentan-3-amine
CID 61469630
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 106371786
5-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136811541
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methylcyclopropyl)ethanamine
CID 106370529
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(4-nitrophenyl)ethanamine
CID 106370518

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid (CID 106372714) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid is Cc1nc(CNC(C)C(C)C(=O)O)oc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid?
The InChIKey is OEGZKSHBANUMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-6(11(14)15)7(2)12-5-10-13-8(3)9(4)16-10/h6-7,12H,5H2,1-4H3,(H,14,15).
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid has a molecular weight of 226.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid is sourced from PubChem (CID 106372714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).