2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid

C13H18N2O4 — CID 79265864

IUPAC2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)15(7-11(16)17)12(18)9-6-10(19-14-9)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyPGFMTHLNKYIVHD-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.88
Rot. Bonds4

About 2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid

2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid (PubChem CID 79265864) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
PubChem CID79265864
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)15(7-11(16)17)12(18)9-6-10(19-14-9)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyPGFMTHLNKYIVHD-UHFFFAOYSA-N
XLogP1.88
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 60826942
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55152096
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-enylamino]acetic acid
CID 79264559
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79274943
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695
tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate
CID 60618706
6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65284499
1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane
CID 178176268
5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 115771332
N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 55026114
5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 71900193
N-cyclohexyl-5-cyclopropyl-N-(4-propylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 56973396

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid (CID 79265864) is 2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)c1cc(C2CC2)on1.
What is the InChIKey of 2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The InChIKey is PGFMTHLNKYIVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,3)15(7-11(16)17)12(18)9-6-10(19-14-9)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid?
2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 79265864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).