(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid

C12H18N2O5 — CID 104875003

IUPAC(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid
SMILESC[C@@H](OCC(=O)Nc1cc(C(C)(C)C)no1)C(=O)O
InChIInChI=1S/C12H18N2O5/c1-7(11(16)17)18-6-9(15)13-10-5-8(14-19-10)12(2,3)4/h5,7H,6H2,1-4H3,(H,13,15)(H,16,17)/t7-/m1/s1
InChIKeyWHRNPXVGHCOXSS-SSDOTTSWSA-N
MW270.28 g/mol
LogP1.40
Rot. Bonds5

About (2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid

(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid (PubChem CID 104875003) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid
PubChem CID104875003
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid
SMILESC[C@@H](OCC(=O)Nc1cc(C(C)(C)C)no1)C(=O)O
InChIInChI=1S/C12H18N2O5/c1-7(11(16)17)18-6-9(15)13-10-5-8(14-19-10)12(2,3)4/h5,7H,6H2,1-4H3,(H,13,15)(H,16,17)/t7-/m1/s1
InChIKeyWHRNPXVGHCOXSS-SSDOTTSWSA-N
XLogP1.40
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791
2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 38903544
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7603982
3-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66137390
N-(3-tert-butyl-1,2-oxazol-5-yl)-4,4,4-trifluorobutanamide
CID 155823225
2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223074
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 31011870
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7627100
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 38906083
3-[[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466444
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 18227468
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 59420457

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid?
The IUPAC name of (2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid (CID 104875003) is (2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid?
The canonical SMILES for (2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid is C[C@@H](OCC(=O)Nc1cc(C(C)(C)C)no1)C(=O)O.
What is the InChIKey of (2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid?
The InChIKey is WHRNPXVGHCOXSS-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-7(11(16)17)18-6-9(15)13-10-5-8(14-19-10)12(2,3)4/h5,7H,6H2,1-4H3,(H,13,15)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid?
(2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid has a molecular weight of 270.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethoxy]propanoic acid is sourced from PubChem (CID 104875003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).