2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid

C11H18N4O4 — CID 66269528

IUPAC2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid
SMILESCCN(C(C)=O)C(C(=O)O)c1cn(CCCO)nn1
InChIInChI=1S/C11H18N4O4/c1-3-15(8(2)17)10(11(18)19)9-7-14(13-12-9)5-4-6-16/h7,10,16H,3-6H2,1-2H3,(H,18,19)
InChIKeyWJULFHJACGXBDH-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.35
Rot. Bonds7

About 2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid

2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid (PubChem CID 66269528) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid
PubChem CID66269528
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid
SMILESCCN(C(C)=O)C(C(=O)O)c1cn(CCCO)nn1
InChIInChI=1S/C11H18N4O4/c1-3-15(8(2)17)10(11(18)19)9-7-14(13-12-9)5-4-6-16/h7,10,16H,3-6H2,1-2H3,(H,18,19)
InChIKeyWJULFHJACGXBDH-UHFFFAOYSA-N
XLogP-0.35
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid?
The IUPAC name of 2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid (CID 66269528) is 2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid?
The canonical SMILES for 2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid is CCN(C(C)=O)C(C(=O)O)c1cn(CCCO)nn1.
What is the InChIKey of 2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid?
The InChIKey is WJULFHJACGXBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-3-15(8(2)17)10(11(18)19)9-7-14(13-12-9)5-4-6-16/h7,10,16H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid?
2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid has a molecular weight of 270.29 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid is sourced from PubChem (CID 66269528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).