2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide

C12H16N6O2 — CID 106171764

IUPAC2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide
SMILESCC(NCC(O)C(N)=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H16N6O2/c1-8(14-6-11(19)12(13)20)9-3-2-4-10(5-9)18-7-15-16-17-18/h2-5,7-8,11,14,19H,6H2,1H3,(H2,13,20)
InChIKeySCTAIUIZDMELMH-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.84
Rot. Bonds6

About 2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide

2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide (PubChem CID 106171764) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide
PubChem CID106171764
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide
SMILESCC(NCC(O)C(N)=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C12H16N6O2/c1-8(14-6-11(19)12(13)20)9-3-2-4-10(5-9)18-7-15-16-17-18/h2-5,7-8,11,14,19H,6H2,1H3,(H2,13,20)
InChIKeySCTAIUIZDMELMH-UHFFFAOYSA-N
XLogP-0.84
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
CID 60865372
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
N-(2-methylsulfinylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 115720609
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pent-3-yn-1-amine
CID 116642927
3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 43205101
N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103903267
1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 43204738
N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 43195693
[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl] 3-(tetrazol-1-yl)benzoate
CID 18082117
2-methylsulfanyl-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butan-1-ol
CID 103785088
N-(1,2-oxazol-5-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 106415586
N-(2-prop-2-ynylsulfanylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103902546

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide (CID 106171764) is 2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide is CC(NCC(O)C(N)=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide?
The InChIKey is SCTAIUIZDMELMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-8(14-6-11(19)12(13)20)9-3-2-4-10(5-9)18-7-15-16-17-18/h2-5,7-8,11,14,19H,6H2,1H3,(H2,13,20).
What are the key properties of 2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide?
2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide has a molecular weight of 276.30 g/mol, XLogP of -0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide is sourced from PubChem (CID 106171764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).