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

C9H14N2O3 — CID 64669367

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid
SMILESCCC(NCc1cc(C)on1)C(=O)O
InChIInChI=1S/C9H14N2O3/c1-3-8(9(12)13)10-5-7-4-6(2)14-11-7/h4,8,10H,3,5H2,1-2H3,(H,12,13)
InChIKeyUFROJRMZKSKXST-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.94
Rot. Bonds5

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

2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid (PubChem CID 64669367) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid
PubChem CID64669367
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid
SMILESCCC(NCc1cc(C)on1)C(=O)O
InChIInChI=1S/C9H14N2O3/c1-3-8(9(12)13)10-5-7-4-6(2)14-11-7/h4,8,10H,3,5H2,1-2H3,(H,12,13)
InChIKeyUFROJRMZKSKXST-UHFFFAOYSA-N
XLogP0.94
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-propylpropanamide
CID 60695703
(2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 107827226
(2S)-2-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]hexanoic acid
CID 120615569
N-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]acetamide
CID 60695514
(E)-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]but-2-enoic acid
CID 103243708
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 113416559
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-2-ylmethylamino)butanamide
CID 35789320
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
(Z)-2,3-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-4-oxobut-2-enoic acid
CID 55168124
2-[4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]phenyl]propanoic acid
CID 103243740
5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine
CID 60689913
1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 115712416

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid (CID 64669367) is 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid is CCC(NCc1cc(C)on1)C(=O)O.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid?
The InChIKey is UFROJRMZKSKXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-8(9(12)13)10-5-7-4-6(2)14-11-7/h4,8,10H,3,5H2,1-2H3,(H,12,13).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid?
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid has a molecular weight of 198.22 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylamino]butanoic acid is sourced from PubChem (CID 64669367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).