2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid

C17H19N5O5 — CID 120698154

IUPAC2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)COc2cccc(NC(=O)C3CC3)c2)nn1
InChIInChI=1S/C17H19N5O5/c23-15(18-7-13-8-22(21-20-13)9-16(24)25)10-27-14-3-1-2-12(6-14)19-17(26)11-4-5-11/h1-3,6,8,11H,4-5,7,9-10H2,(H,18,23)(H,19,26)(H,24,25)
InChIKeyDTUWSQONXZDSJM-UHFFFAOYSA-N
MW373.37 g/mol
LogP0.41
Rot. Bonds9

About 2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid

2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid (PubChem CID 120698154) has the molecular formula C17H19N5O5 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
PubChem CID120698154
Molecular FormulaC17H19N5O5
Molecular Weight373.37 g/mol
Exact Mass373.14
IUPAC Name2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(CNC(=O)COc2cccc(NC(=O)C3CC3)c2)nn1
InChIInChI=1S/C17H19N5O5/c23-15(18-7-13-8-22(21-20-13)9-16(24)25)10-27-14-3-1-2-12(6-14)19-17(26)11-4-5-11/h1-3,6,8,11H,4-5,7,9-10H2,(H,18,23)(H,19,26)(H,24,25)
InChIKeyDTUWSQONXZDSJM-UHFFFAOYSA-N
XLogP0.41
TPSA135.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698966
N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709
N-[3-[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 56555372
N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide
CID 38430538
2-[4-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120697874
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249671
methyl 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]benzoate
CID 46411540
2-[4-[[3-(3-cyclopentyloxyphenyl)propanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698424
2-[4-[[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698577
2-[4-[[4-(3-bromophenoxy)butanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698942
2-[3-(thiane-4-carbonylamino)phenoxy]acetic acid
CID 120523516
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid (CID 120698154) is 2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid is O=C(O)Cn1cc(CNC(=O)COc2cccc(NC(=O)C3CC3)c2)nn1.
What is the InChIKey of 2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid?
The InChIKey is DTUWSQONXZDSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O5/c23-15(18-7-13-8-22(21-20-13)9-16(24)25)10-27-14-3-1-2-12(6-14)19-17(26)11-4-5-11/h1-3,6,8,11H,4-5,7,9-10H2,(H,18,23)(H,19,26)(H,24,25).
What are the key properties of 2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid?
2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid has a molecular weight of 373.37 g/mol, XLogP of 0.41, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 120698154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).