2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid

C10H16N2O3 — CID 43465803

IUPAC2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid
SMILESCC(C)(C)c1cnc(CNCC(=O)O)o1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)7-4-12-8(15-7)5-11-6-9(13)14/h4,11H,5-6H2,1-3H3,(H,13,14)
InChIKeyHRSVYZXMZJLTAA-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.15
Rot. Bonds4

About 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid

2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid (PubChem CID 43465803) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid
PubChem CID43465803
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid
SMILESCC(C)(C)c1cnc(CNCC(=O)O)o1
InChIInChI=1S/C10H16N2O3/c1-10(2,3)7-4-12-8(15-7)5-11-6-9(13)14/h4,11H,5-6H2,1-3H3,(H,13,14)
InChIKeyHRSVYZXMZJLTAA-UHFFFAOYSA-N
XLogP1.15
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine
CID 60765583
4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673692
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]propanoic acid
CID 55097181
4-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119185478
(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid
CID 104876270
2-amino-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120991561
2-amino-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxypropanamide
CID 120991562
3-[(5-tert-butyl-1,3-oxazole-2-carbonyl)amino]butanoic acid
CID 110835099
1-(5-tert-butyl-1,3-oxazol-2-yl)-3-(dimethylamino)propan-2-one
CID 157081644
N-[2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 71973343
2-[[N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]-N-(2-phenylethyl)acetamide
CID 111593330

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid?
The IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid (CID 43465803) is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid is CC(C)(C)c1cnc(CNCC(=O)O)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid?
The InChIKey is HRSVYZXMZJLTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2,3)7-4-12-8(15-7)5-11-6-9(13)14/h4,11H,5-6H2,1-3H3,(H,13,14).
What are the key properties of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid?
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid has a molecular weight of 212.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid is sourced from PubChem (CID 43465803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).