2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid

C11H17N3O4 — CID 54900050

IUPAC2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
SMILESCCN(CCC(=O)Nc1cc(C)on1)CC(=O)O
InChIInChI=1S/C11H17N3O4/c1-3-14(7-11(16)17)5-4-10(15)12-9-6-8(2)18-13-9/h6H,3-5,7H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyKRCGLORATQROBD-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.72
Rot. Bonds7

About 2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid

2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid (PubChem CID 54900050) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
PubChem CID54900050
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
SMILESCCN(CCC(=O)Nc1cc(C)on1)CC(=O)O
InChIInChI=1S/C11H17N3O4/c1-3-14(7-11(16)17)5-4-10(15)12-9-6-8(2)18-13-9/h6H,3-5,7H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyKRCGLORATQROBD-UHFFFAOYSA-N
XLogP0.72
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[carboxymethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 63645461
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
CID 55245946
ethyl 2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]-prop-2-enylamino]acetate
CID 78978554
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51171141
3-[2-hydroxyethyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 111423304
3-(diethylcarbamoylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370392
2-[dimethylcarbamoyl(ethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 814446
2-methyl-3-[methyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]propanoic acid
CID 55007447
2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 43465797
2-(N-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47121660
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113135846
3-[2-hydroxyethyl(pentan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62015887

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid (CID 54900050) is 2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid is CCN(CCC(=O)Nc1cc(C)on1)CC(=O)O.
What is the InChIKey of 2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid?
The InChIKey is KRCGLORATQROBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-14(7-11(16)17)5-4-10(15)12-9-6-8(2)18-13-9/h6H,3-5,7H2,1-2H3,(H,16,17)(H,12,13,15).
What are the key properties of 2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid?
2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid has a molecular weight of 255.27 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid is sourced from PubChem (CID 54900050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).