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

C13H21N3O4 — CID 61009524

IUPAC3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)CC(=O)Nc1cc(C(C)C)no1
InChIInChI=1S/C13H21N3O4/c1-4-16(6-5-13(18)19)8-11(17)14-12-7-10(9(2)3)15-20-12/h7,9H,4-6,8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyHAFKZSZYXUVPEQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.53
Rot. Bonds8

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

3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid (PubChem CID 61009524) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid
PubChem CID61009524
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)CC(=O)Nc1cc(C(C)C)no1
InChIInChI=1S/C13H21N3O4/c1-4-16(6-5-13(18)19)8-11(17)14-12-7-10(9(2)3)15-20-12/h7,9H,4-6,8H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyHAFKZSZYXUVPEQ-UHFFFAOYSA-N
XLogP1.53
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-propan-2-ylamino]propanoic acid
CID 60840529
2-[[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]-prop-2-ynylamino]acetic acid
CID 79284198
3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 43238022
2-[2-hydroxyethyl(pentan-3-yl)amino]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 62014316
2-[bis(furan-2-ylmethyl)amino]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 24626993
2-[ethyl(2-hydroxyethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 37097840
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 78964549
3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123061
N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304334
methyl 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 51108186
2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 54900050
2-[methyl(piperidin-4-ylmethyl)amino]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 79701828

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid (CID 61009524) is 3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid is CCN(CCC(=O)O)CC(=O)Nc1cc(C(C)C)no1.
What is the InChIKey of 3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid?
The InChIKey is HAFKZSZYXUVPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-4-16(6-5-13(18)19)8-11(17)14-12-7-10(9(2)3)15-20-12/h7,9H,4-6,8H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid?
3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]amino]propanoic acid is sourced from PubChem (CID 61009524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).