(2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride

C8H17ClN6O — CID 139613604

IUPAC(2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1nn[nH]n1.Cl
InChIInChI=1S/C8H16N6O.ClH/c1-3-5(2)7(9)8(15)10-4-6-11-13-14-12-6;/h5,7H,3-4,9H2,1-2H3,(H,10,15)(H,11,12,13,14);1H/t5-,7-;/m0./s1
InChIKeyAXJPJHVRFZHNMK-KQBMADMWSA-N
MW248.72 g/mol
LogP-0.39
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride

(2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride (PubChem CID 139613604) has the molecular formula C8H17ClN6O and a molecular weight of 248.72 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride
PubChem CID139613604
Molecular FormulaC8H17ClN6O
Molecular Weight248.72 g/mol
Exact Mass248.12
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1nn[nH]n1.Cl
InChIInChI=1S/C8H16N6O.ClH/c1-3-5(2)7(9)8(15)10-4-6-11-13-14-12-6;/h5,7H,3-4,9H2,1-2H3,(H,10,15)(H,11,12,13,14);1H/t5-,7-;/m0./s1
InChIKeyAXJPJHVRFZHNMK-KQBMADMWSA-N
XLogP-0.39
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride (CID 139613604) is (2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride is CC[C@H](C)[C@H](N)C(=O)NCc1nn[nH]n1.Cl.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride?
The InChIKey is AXJPJHVRFZHNMK-KQBMADMWSA-N. The full InChI is InChI=1S/C8H16N6O.ClH/c1-3-5(2)7(9)8(15)10-4-6-11-13-14-12-6;/h5,7H,3-4,9H2,1-2H3,(H,10,15)(H,11,12,13,14);1H/t5-,7-;/m0./s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride?
(2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride has a molecular weight of 248.72 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(2H-tetrazol-5-ylmethyl)pentanamide;hydrochloride is sourced from PubChem (CID 139613604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).