(2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide

C11H17N3O — CID 15386311

IUPAC(2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccccn1
InChIInChI=1S/C11H17N3O/c1-11(2,3)9(12)10(15)14-8-6-4-5-7-13-8/h4-7,9H,12H2,1-3H3,(H,13,14,15)/t9-/m1/s1
InChIKeyACNZLRUIGXMARU-SECBINFHSA-N
MW207.28 g/mol
LogP1.39
Rot. Bonds2

About (2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide

(2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide (PubChem CID 15386311) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide
PubChem CID15386311
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccccn1
InChIInChI=1S/C11H17N3O/c1-11(2,3)9(12)10(15)14-8-6-4-5-7-13-8/h4-7,9H,12H2,1-3H3,(H,13,14,15)/t9-/m1/s1
InChIKeyACNZLRUIGXMARU-SECBINFHSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide (CID 15386311) is (2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide is CC(C)(C)[C@H](N)C(=O)Nc1ccccn1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide?
The InChIKey is ACNZLRUIGXMARU-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2,3)9(12)10(15)14-8-6-4-5-7-13-8/h4-7,9H,12H2,1-3H3,(H,13,14,15)/t9-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide?
(2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide has a molecular weight of 207.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide is sourced from PubChem (CID 15386311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).