3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid

C14H23N3O4 — CID 60840529

IUPAC3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)c1cc(NC(=O)CN(CCC(=O)O)C(C)C)on1
InChIInChI=1S/C14H23N3O4/c1-9(2)11-7-13(21-16-11)15-12(18)8-17(10(3)4)6-5-14(19)20/h7,9-10H,5-6,8H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyHIIDQASYDOVAQW-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.92
Rot. Bonds8

About 3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid

3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid (PubChem CID 60840529) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid
PubChem CID60840529
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)c1cc(NC(=O)CN(CCC(=O)O)C(C)C)on1
InChIInChI=1S/C14H23N3O4/c1-9(2)11-7-13(21-16-11)15-12(18)8-17(10(3)4)6-5-14(19)20/h7,9-10H,5-6,8H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyHIIDQASYDOVAQW-UHFFFAOYSA-N
XLogP1.92
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid with MolForge

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Related Compounds

3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid
CID 61009524
2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 62014316
3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 43238022
2-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-prop-2-ynylamino]acetic acid
CID 79284198
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 78964549
N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 89054004
2-[bis(furan-2-ylmethyl)amino]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 24626993
3-[[2-(4-methylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60840513
3-[[2-(4-bromoanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60838316
3-[[2-(4-chloroanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60840352
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304334
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60834098

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid (CID 60840529) is 3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid is CC(C)c1cc(NC(=O)CN(CCC(=O)O)C(C)C)on1.
What is the InChIKey of 3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid?
The InChIKey is HIIDQASYDOVAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-9(2)11-7-13(21-16-11)15-12(18)8-17(10(3)4)6-5-14(19)20/h7,9-10H,5-6,8H2,1-4H3,(H,15,18)(H,19,20).
What are the key properties of 3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid?
3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid has a molecular weight of 297.36 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 60840529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).