(2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride

C5H11ClN6O — CID 130835173

IUPAC(2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1nn[nH]n1.Cl
InChIInChI=1S/C5H10N6O.ClH/c1-2-3(6)4(12)7-5-8-10-11-9-5;/h3H,2,6H2,1H3,(H2,7,8,9,10,11,12);1H/t3-;/m0./s1
InChIKeyUMARIKJAUSYGSL-DFWYDOINSA-N
MW206.64 g/mol
LogP-0.70
Rot. Bonds3

About (2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride

(2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride (PubChem CID 130835173) has the molecular formula C5H11ClN6O and a molecular weight of 206.64 g/mol. Its IUPAC name is (2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride
PubChem CID130835173
Molecular FormulaC5H11ClN6O
Molecular Weight206.64 g/mol
Exact Mass206.07
IUPAC Name(2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)Nc1nn[nH]n1.Cl
InChIInChI=1S/C5H10N6O.ClH/c1-2-3(6)4(12)7-5-8-10-11-9-5;/h3H,2,6H2,1H3,(H2,7,8,9,10,11,12);1H/t3-;/m0./s1
InChIKeyUMARIKJAUSYGSL-DFWYDOINSA-N
XLogP-0.70
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride (CID 130835173) is (2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride is CC[C@H](N)C(=O)Nc1nn[nH]n1.Cl.
What is the InChIKey of (2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride?
The InChIKey is UMARIKJAUSYGSL-DFWYDOINSA-N. The full InChI is InChI=1S/C5H10N6O.ClH/c1-2-3(6)4(12)7-5-8-10-11-9-5;/h3H,2,6H2,1H3,(H2,7,8,9,10,11,12);1H/t3-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride?
(2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride has a molecular weight of 206.64 g/mol, XLogP of -0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 130835173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).