(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide

C12H16N6O — CID 119328864

IUPAC(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)[C@@H](C)N)c1nnnn1-c1ccccc1
InChIInChI=1S/C12H16N6O/c1-8(13)12(19)14-9(2)11-15-16-17-18(11)10-6-4-3-5-7-10/h3-9H,13H2,1-2H3,(H,14,19)/t8-,9?/m1/s1
InChIKeyLJDCRYJEDBAKGW-VEDVMXKPSA-N
MW260.30 g/mol
LogP0.19
Rot. Bonds4

About (2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide

(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide (PubChem CID 119328864) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide
PubChem CID119328864
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)[C@@H](C)N)c1nnnn1-c1ccccc1
InChIInChI=1S/C12H16N6O/c1-8(13)12(19)14-9(2)11-15-16-17-18(11)10-6-4-3-5-7-10/h3-9H,13H2,1-2H3,(H,14,19)/t8-,9?/m1/s1
InChIKeyLJDCRYJEDBAKGW-VEDVMXKPSA-N
XLogP0.19
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dichlorophenyl)-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]acetamide
CID 99160430
(3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide
CID 95628473
N-[1-(1-phenyltetrazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 122160147
(3aS,7aS)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 96518819
N-[1-(1-phenyltetrazol-5-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71869849
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
(2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide
CID 120793976
N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 99210544
2-[1-(1-phenyltetrazol-5-yl)ethylamino]cyclohexane-1-carboxamide
CID 86803770
trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide
CID 129445996
1-(3-cyanophenyl)-3-[1-(1-phenyltetrazol-5-yl)ethyl]urea
CID 56791403
3-(4-bromophenyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide (CID 119328864) is (2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide is CC(NC(=O)[C@@H](C)N)c1nnnn1-c1ccccc1.
What is the InChIKey of (2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide?
The InChIKey is LJDCRYJEDBAKGW-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H16N6O/c1-8(13)12(19)14-9(2)11-15-16-17-18(11)10-6-4-3-5-7-10/h3-9H,13H2,1-2H3,(H,14,19)/t8-,9?/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide?
(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 119328864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).