2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid

C13H13N5O3 — CID 136552003

IUPAC2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2(n3cnnn3)CC2)c1
InChIInChI=1S/C13H13N5O3/c19-11(20)7-9-2-1-3-10(6-9)15-12(21)13(4-5-13)18-8-14-16-17-18/h1-3,6,8H,4-5,7H2,(H,15,21)(H,19,20)
InChIKeyFLYQPJNWKSTVAB-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.43
Rot. Bonds5

About 2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid

2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid (PubChem CID 136552003) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid
PubChem CID136552003
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2(n3cnnn3)CC2)c1
InChIInChI=1S/C13H13N5O3/c19-11(20)7-9-2-1-3-10(6-9)15-12(21)13(4-5-13)18-8-14-16-17-18/h1-3,6,8H,4-5,7H2,(H,15,21)(H,19,20)
InChIKeyFLYQPJNWKSTVAB-UHFFFAOYSA-N
XLogP0.43
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351811
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 45494171
2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
CID 79854322
2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid
CID 65350521
2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid
CID 122108126
2-[3-[(1-phenylsulfanylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119351837
2-[3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 106980832
ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride
CID 120934173
2-[3-[[2-[1-(methylsulfonylmethyl)cyclopropyl]acetyl]amino]phenyl]acetic acid
CID 119352055
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-[[1-(2,4-difluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 120530680

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid (CID 136552003) is 2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)C2(n3cnnn3)CC2)c1.
What is the InChIKey of 2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid?
The InChIKey is FLYQPJNWKSTVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c19-11(20)7-9-2-1-3-10(6-9)15-12(21)13(4-5-13)18-8-14-16-17-18/h1-3,6,8H,4-5,7H2,(H,15,21)(H,19,20).
What are the key properties of 2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid?
2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid has a molecular weight of 287.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 136552003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).