2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid

C10H15N5O4 — CID 115458213

IUPAC2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESNC1(C(=O)NCc2cn(CC(=O)O)nn2)CCOC1
InChIInChI=1S/C10H15N5O4/c11-10(1-2-19-6-10)9(18)12-3-7-4-15(14-13-7)5-8(16)17/h4H,1-3,5-6,11H2,(H,12,18)(H,16,17)
InChIKeyKQZDJZNDEOGVLU-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.90
Rot. Bonds5

About 2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid

2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid (PubChem CID 115458213) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
PubChem CID115458213
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
SMILESNC1(C(=O)NCc2cn(CC(=O)O)nn2)CCOC1
InChIInChI=1S/C10H15N5O4/c11-10(1-2-19-6-10)9(18)12-3-7-4-15(14-13-7)5-8(16)17/h4H,1-3,5-6,11H2,(H,12,18)(H,16,17)
InChIKeyKQZDJZNDEOGVLU-UHFFFAOYSA-N
XLogP-1.90
TPSA132.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[(1-aminocyclohexanecarbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115458075
2-[4-[[[1-(aminomethyl)cyclopentanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458126
2-[4-[[[2-(1-aminocyclobutyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 115458127
2-[4-[(oxan-4-ylmethylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458715
2-[4-[[(1-phenylcyclobutanecarbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698595
2-[4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698334
2-[4-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698173
2-[4-[[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698426
3-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-carboxamide
CID 64891597
2-[4-[[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 106216398
2-[4-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 104763980
2-[4-[(cyclobutylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458679

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid (CID 115458213) is 2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid is NC1(C(=O)NCc2cn(CC(=O)O)nn2)CCOC1.
What is the InChIKey of 2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is KQZDJZNDEOGVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c11-10(1-2-19-6-10)9(18)12-3-7-4-15(14-13-7)5-8(16)17/h4H,1-3,5-6,11H2,(H,12,18)(H,16,17).
What are the key properties of 2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 269.26 g/mol, XLogP of -1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3-aminooxolane-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 115458213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).