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

C11H18N2O3 — CID 62828358

IUPAC3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
SMILESCCN(Cc1cc(C)on1)C(C)CC(=O)O
InChIInChI=1S/C11H18N2O3/c1-4-13(8(2)5-11(14)15)7-10-6-9(3)16-12-10/h6,8H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyUDSOTAVQCBVNOI-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.67
Rot. Bonds6

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

3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid (PubChem CID 62828358) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
PubChem CID62828358
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
SMILESCCN(Cc1cc(C)on1)C(C)CC(=O)O
InChIInChI=1S/C11H18N2O3/c1-4-13(8(2)5-11(14)15)7-10-6-9(3)16-12-10/h6,8H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyUDSOTAVQCBVNOI-UHFFFAOYSA-N
XLogP1.67
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
CID 62825872
3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid
CID 62825864
3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]butanoic acid
CID 55122801
3-[ethyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]butanoic acid
CID 62828179
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588863
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide
CID 43588867
2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 62821268
3-[(2-acetamido-1,3-thiazol-4-yl)methyl-ethylamino]butanoic acid
CID 62826038
2-amino-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pentanamide;hydrochloride
CID 119729325
3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 60840037
3-[(1,5-dimethylpyrazol-4-yl)methyl-ethylamino]butanoic acid
CID 79595998
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid (CID 62828358) is 3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid is CCN(Cc1cc(C)on1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid?
The InChIKey is UDSOTAVQCBVNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-13(8(2)5-11(14)15)7-10-6-9(3)16-12-10/h6,8H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid?
3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid has a molecular weight of 226.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid is sourced from PubChem (CID 62828358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).