(1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

C16H15N5O5 — CID 135089318

IUPAC(1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
SMILESCn1nnc(-c2ccc(C(=O)N3C[C@@]4(C(=O)O)C[C@@]4(C(=O)O)C3)cc2)n1
InChIInChI=1S/C16H15N5O5/c1-20-18-11(17-19-20)9-2-4-10(5-3-9)12(22)21-7-15(13(23)24)6-16(15,8-21)14(25)26/h2-5H,6-8H2,1H3,(H,23,24)(H,25,26)/t15-,16+
InChIKeyAAOHRHTWYGYJMV-IYBDPMFKSA-N
MW357.33 g/mol
LogP-0.12
Rot. Bonds4

About (1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

(1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid (PubChem CID 135089318) has the molecular formula C16H15N5O5 and a molecular weight of 357.33 g/mol. Its IUPAC name is (1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid.

Molecular Properties

Compound Name(1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
PubChem CID135089318
Molecular FormulaC16H15N5O5
Molecular Weight357.33 g/mol
Exact Mass357.11
IUPAC Name(1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
SMILESCn1nnc(-c2ccc(C(=O)N3C[C@@]4(C(=O)O)C[C@@]4(C(=O)O)C3)cc2)n1
InChIInChI=1S/C16H15N5O5/c1-20-18-11(17-19-20)9-2-4-10(5-3-9)12(22)21-7-15(13(23)24)6-16(15,8-21)14(25)26/h2-5H,6-8H2,1H3,(H,23,24)(H,25,26)/t15-,16+
InChIKeyAAOHRHTWYGYJMV-IYBDPMFKSA-N
XLogP-0.12
TPSA138.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 50971840
(3R,4R)-4-hydroxy-1-[4-(2-methyltetrazol-5-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
CID 163318853
[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 56901650
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 95715132
(3aS,6aR)-5-[4-(2-methyltetrazol-5-yl)benzoyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
CID 162628899
[4-(2-methyltetrazol-5-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 72893876
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(2-methyltetrazol-5-yl)phenyl]ethane-1,2-dione
CID 69413754
[3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 70774161
2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid
CID 28643089
2-amino-1-[4-(2-methyltetrazol-5-yl)phenyl]propan-1-one
CID 84794333
[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 138379629
(1R,5S)-3-[4-(2-oxopyrrolidin-1-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135109292

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid?
The IUPAC name of (1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid (CID 135089318) is (1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid.
What is the SMILES notation for (1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid?
The canonical SMILES for (1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid is Cn1nnc(-c2ccc(C(=O)N3C[C@@]4(C(=O)O)C[C@@]4(C(=O)O)C3)cc2)n1.
What is the InChIKey of (1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid?
The InChIKey is AAOHRHTWYGYJMV-IYBDPMFKSA-N. The full InChI is InChI=1S/C16H15N5O5/c1-20-18-11(17-19-20)9-2-4-10(5-3-9)12(22)21-7-15(13(23)24)6-16(15,8-21)14(25)26/h2-5H,6-8H2,1H3,(H,23,24)(H,25,26)/t15-,16+.
What are the key properties of (1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid?
(1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid has a molecular weight of 357.33 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid is sourced from PubChem (CID 135089318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).