(2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide

C11H22N6O — CID 68754874

IUPAC(2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1nnn(C(C)(C)C)n1
InChIInChI=1S/C11H22N6O/c1-6-7(2)8(12)9(18)13-10-14-16-17(15-10)11(3,4)5/h7-8H,6,12H2,1-5H3,(H,13,15,18)/t7?,8-/m0/s1
InChIKeyCXFAWVVCQPWQMS-MQWKRIRWSA-N
MW254.34 g/mol
LogP0.74
Rot. Bonds4

About (2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide

(2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide (PubChem CID 68754874) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide
PubChem CID68754874
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name(2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1nnn(C(C)(C)C)n1
InChIInChI=1S/C11H22N6O/c1-6-7(2)8(12)9(18)13-10-14-16-17(15-10)11(3,4)5/h7-8H,6,12H2,1-5H3,(H,13,15,18)/t7?,8-/m0/s1
InChIKeyCXFAWVVCQPWQMS-MQWKRIRWSA-N
XLogP0.74
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide
CID 67291787
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide
CID 107625737
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
(2S)-2-amino-3-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 61174043
2-amino-N-(1,5-dimethylpyrazol-4-yl)-3-methylpentanamide;hydrochloride
CID 119797909
(2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide
CID 93240679
(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643
2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide
CID 114052886
(2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide
CID 114255933
(2S,3R)-2-amino-N-hydroxy-3-methylpentanamide
CID 129369774
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide (CID 68754874) is (2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1nnn(C(C)(C)C)n1.
What is the InChIKey of (2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide?
The InChIKey is CXFAWVVCQPWQMS-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H22N6O/c1-6-7(2)8(12)9(18)13-10-14-16-17(15-10)11(3,4)5/h7-8H,6,12H2,1-5H3,(H,13,15,18)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide?
(2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide has a molecular weight of 254.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-tert-butyltetrazol-5-yl)-3-methylpentanamide is sourced from PubChem (CID 68754874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).