2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid

C10H16N2O3 — CID 106371994

IUPAC2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid
SMILESCc1cnc(CNC(C)C(C)C(=O)O)o1
InChIInChI=1S/C10H16N2O3/c1-6-4-12-9(15-6)5-11-8(3)7(2)10(13)14/h4,7-8,11H,5H2,1-3H3,(H,13,14)
InChIKeyMNQPODWJTRIIFM-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.18
Rot. Bonds5

About 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid

2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid (PubChem CID 106371994) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid
PubChem CID106371994
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid
SMILESCc1cnc(CNC(C)C(C)C(=O)O)o1
InChIInChI=1S/C10H16N2O3/c1-6-4-12-9(15-6)5-11-8(3)7(2)10(13)14/h4,7-8,11H,5H2,1-3H3,(H,13,14)
InChIKeyMNQPODWJTRIIFM-UHFFFAOYSA-N
XLogP1.18
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
CID 106373563
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-methylbutanoic acid
CID 106372714
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]propanoic acid
CID 106374475
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanamide
CID 106371987
2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid
CID 106373556
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
2-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371516
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-N-propan-2-ylacetamide
CID 106372389
1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578495
5-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]benzene-1,3-diol
CID 106370039
(2S)-2-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797057

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid?
The IUPAC name of 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid (CID 106371994) is 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid?
The canonical SMILES for 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid is Cc1cnc(CNC(C)C(C)C(=O)O)o1.
What is the InChIKey of 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid?
The InChIKey is MNQPODWJTRIIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6-4-12-9(15-6)5-11-8(3)7(2)10(13)14/h4,7-8,11H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid?
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid is sourced from PubChem (CID 106371994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).