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

C11H18N2O3 — CID 43619558

IUPAC2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid
SMILESCCCC(C)(NCc1cc(C)no1)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-4-5-11(3,10(14)15)12-7-9-6-8(2)13-16-9/h6,12H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyHYSXDSOXSQCCTO-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.72
Rot. Bonds6

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

2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid (PubChem CID 43619558) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid
PubChem CID43619558
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid
SMILESCCCC(C)(NCc1cc(C)no1)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-4-5-11(3,10(14)15)12-7-9-6-8(2)13-16-9/h6,12H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyHYSXDSOXSQCCTO-UHFFFAOYSA-N
XLogP1.72
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid
CID 115000495
2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
CID 114999018
2-methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)pentanoic acid
CID 43619422
1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017228
2,2,3-trimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]butanoic acid
CID 65263958
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
2-methyl-2-[(3-methylphenyl)methylamino]pentanoic acid
CID 43619529
methyl (2R)-3,3-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]butanoate
CID 97069579
ethyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 62189875
(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
CID 83195269
2-[(4-fluoro-2-methylphenyl)methylamino]-2-methylpentanoic acid
CID 65055742
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid (CID 43619558) is 2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid is CCCC(C)(NCc1cc(C)no1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid?
The InChIKey is HYSXDSOXSQCCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-5-11(3,10(14)15)12-7-9-6-8(2)13-16-9/h6,12H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid?
2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid has a molecular weight of 226.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pentanoic acid is sourced from PubChem (CID 43619558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).