2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid

C13H13N5O3 — CID 60827027

IUPAC2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1
InChIInChI=1S/C13H13N5O3/c19-11(20)7-18(10-5-6-10)13(21)9-3-1-8(2-4-9)12-14-16-17-15-12/h1-4,10H,5-7H2,(H,19,20)(H,14,15,16,17)
InChIKeyHIHZQVQGKXCLCE-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.56
Rot. Bonds5

About 2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid

2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid (PubChem CID 60827027) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
PubChem CID60827027
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1
InChIInChI=1S/C13H13N5O3/c19-11(20)7-18(10-5-6-10)13(21)9-3-1-8(2-4-9)12-14-16-17-15-12/h1-4,10H,5-7H2,(H,19,20)(H,14,15,16,17)
InChIKeyHIHZQVQGKXCLCE-UHFFFAOYSA-N
XLogP0.56
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]acetic acid
CID 119195360
2-[cyclopropyl-(4-methylsulfanylbenzoyl)amino]acetic acid
CID 54946184
2-[cyclopropyl-(3,4-dichlorobenzoyl)amino]acetic acid
CID 54946136
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide
CID 43576735
2-[cyclopropyl-[4-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzoyl]amino]acetic acid
CID 125131498
2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
CID 60825684
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 79384598
2-[cyclopropyl-[4-(methanesulfonamido)benzoyl]amino]acetic acid
CID 60826728
N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044
2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid
CID 119194650
2-[(4-chlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 154742650
2-[(1-tert-butylpyrazole-4-carbonyl)-cyclopropylamino]acetic acid
CID 119194565

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid (CID 60827027) is 2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid is O=C(O)CN(C(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid?
The InChIKey is HIHZQVQGKXCLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c19-11(20)7-18(10-5-6-10)13(21)9-3-1-8(2-4-9)12-14-16-17-15-12/h1-4,10H,5-7H2,(H,19,20)(H,14,15,16,17).
What are the key properties of 2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid?
2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid has a molecular weight of 287.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[4-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 60827027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).