(2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide

C10H19N5O — CID 164642711

IUPAC(2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide
SMILESC[C@H](C(=O)NCc1nnnn1C)C(C)(C)C
InChIInChI=1S/C10H19N5O/c1-7(10(2,3)4)9(16)11-6-8-12-13-14-15(8)5/h7H,6H2,1-5H3,(H,11,16)/t7-/m1/s1
InChIKeyAOAKZYAPYISMCG-SSDOTTSWSA-N
MW225.30 g/mol
LogP0.51
Rot. Bonds3

About (2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide

(2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide (PubChem CID 164642711) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is (2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide
PubChem CID164642711
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name(2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide
SMILESC[C@H](C(=O)NCc1nnnn1C)C(C)(C)C
InChIInChI=1S/C10H19N5O/c1-7(10(2,3)4)9(16)11-6-8-12-13-14-15(8)5/h7H,6H2,1-5H3,(H,11,16)/t7-/m1/s1
InChIKeyAOAKZYAPYISMCG-SSDOTTSWSA-N
XLogP0.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide?
The IUPAC name of (2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide (CID 164642711) is (2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide?
The canonical SMILES for (2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide is C[C@H](C(=O)NCc1nnnn1C)C(C)(C)C.
What is the InChIKey of (2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide?
The InChIKey is AOAKZYAPYISMCG-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19N5O/c1-7(10(2,3)4)9(16)11-6-8-12-13-14-15(8)5/h7H,6H2,1-5H3,(H,11,16)/t7-/m1/s1.
What are the key properties of (2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide?
(2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide has a molecular weight of 225.30 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3,3-trimethyl-N-[(1-methyltetrazol-5-yl)methyl]butanamide is sourced from PubChem (CID 164642711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).