2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid

C10H10N4O4 — CID 170824705

IUPAC2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
SMILESO=C(O)C(O)C(O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H10N4O4/c15-7(8(16)10(17)18)5-1-3-6(4-2-5)9-11-13-14-12-9/h1-4,7-8,15-16H,(H,17,18)(H,11,12,13,14)
InChIKeyCLLQBLSKMNCVMD-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.65
Rot. Bonds4

About 2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid

2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid (PubChem CID 170824705) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
PubChem CID170824705
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
SMILESO=C(O)C(O)C(O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H10N4O4/c15-7(8(16)10(17)18)5-1-3-6(4-2-5)9-11-13-14-12-9/h1-4,7-8,15-16H,(H,17,18)(H,11,12,13,14)
InChIKeyCLLQBLSKMNCVMD-UHFFFAOYSA-N
XLogP-0.65
TPSA132.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydroxy-4-[4-(2H-tetrazol-5-yl)phenyl]butanenitrile
CID 171901714
(2S)-2-amino-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid
CID 69315806
tert-butyl N-[3,4-dihydroxy-4-[4-(2H-tetrazol-5-yl)phenyl]butyl]carbamate
CID 171885590
molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 142506375
ethane;molecular hydrogen;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 145087204
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
CID 175020702
CID 175020702
5-[4-[2,2-diphenyl-1-[4-(2H-tetrazol-5-yl)phenyl]ethenyl]phenyl]-2H-tetrazole
CID 146430659
2-[4-(2H-tetrazol-5-yl)pyridin-1-ium-1-yl]acetic acid
CID 101495307
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
N-(4-phenylphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487596
3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 110720173

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid (CID 170824705) is 2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid is O=C(O)C(O)C(O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid?
The InChIKey is CLLQBLSKMNCVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c15-7(8(16)10(17)18)5-1-3-6(4-2-5)9-11-13-14-12-9/h1-4,7-8,15-16H,(H,17,18)(H,11,12,13,14).
What are the key properties of 2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid?
2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid has a molecular weight of 250.21 g/mol, XLogP of -0.65, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-[4-(2H-tetrazol-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 170824705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).