(2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide

C9H17BrN2O — CID 103809904

IUPAC(2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide
SMILESC=C(Br)CNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C9H17BrN2O/c1-6(10)5-12-8(13)7(11)9(2,3)4/h7H,1,5,11H2,2-4H3,(H,12,13)/t7-/m1/s1
InChIKeyGLYHFPLCQDHSOW-SSDOTTSWSA-N
MW249.15 g/mol
LogP1.38
Rot. Bonds3

About (2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide (PubChem CID 103809904) has the molecular formula C9H17BrN2O and a molecular weight of 249.15 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide
PubChem CID103809904
Molecular FormulaC9H17BrN2O
Molecular Weight249.15 g/mol
Exact Mass248.05
IUPAC Name(2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide
SMILESC=C(Br)CNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C9H17BrN2O/c1-6(10)5-12-8(13)7(11)9(2,3)4/h7H,1,5,11H2,2-4H3,(H,12,13)/t7-/m1/s1
InChIKeyGLYHFPLCQDHSOW-SSDOTTSWSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide (CID 103809904) is (2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide is C=C(Br)CNC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide?
The InChIKey is GLYHFPLCQDHSOW-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17BrN2O/c1-6(10)5-12-8(13)7(11)9(2,3)4/h7H,1,5,11H2,2-4H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide has a molecular weight of 249.15 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-bromoprop-2-enyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103809904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).