N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide

C11H12N6O3 — CID 106166243

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide
SMILESNC(=O)C(O)CNC(=O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H12N6O3/c12-9(19)8(18)5-13-11(20)7-3-1-2-6(4-7)10-14-16-17-15-10/h1-4,8,18H,5H2,(H2,12,19)(H,13,20)(H,14,15,16,17)
InChIKeyMLOXMLIBSZPZRK-UHFFFAOYSA-N
MW276.26 g/mol
LogP-1.56
Rot. Bonds5

About N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide

N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide (PubChem CID 106166243) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide
PubChem CID106166243
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide
SMILESNC(=O)C(O)CNC(=O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H12N6O3/c12-9(19)8(18)5-13-11(20)7-3-1-2-6(4-7)10-14-16-17-15-10/h1-4,8,18H,5H2,(H2,12,19)(H,13,20)(H,14,15,16,17)
InChIKeyMLOXMLIBSZPZRK-UHFFFAOYSA-N
XLogP-1.56
TPSA146.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 43355204
N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 79252952
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2H-tetrazol-5-yl)benzamide
CID 114469543
2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 62695358
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide
CID 167959073
N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2,2,2-trifluoroethyl)benzamide
CID 166316232
N-cyclopropyl-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide
CID 43576735
N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide
CID 107261317
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
CID 7130725
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
N-[(1R,2R)-2-hydroxycyclohexyl]-3-(2H-tetrazol-5-yl)benzamide
CID 102739177
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 43546652

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide (CID 106166243) is N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide is NC(=O)C(O)CNC(=O)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide?
The InChIKey is MLOXMLIBSZPZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c12-9(19)8(18)5-13-11(20)7-3-1-2-6(4-7)10-14-16-17-15-10/h1-4,8,18H,5H2,(H2,12,19)(H,13,20)(H,14,15,16,17).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide has a molecular weight of 276.26 g/mol, XLogP of -1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 106166243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).