(2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide

C9H17BrN2O — CID 103832999

IUPAC(2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide
SMILESC=C(Br)CNC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C9H17BrN2O/c1-4-6(2)8(11)9(13)12-5-7(3)10/h6,8H,3-5,11H2,1-2H3,(H,12,13)/t6?,8-/m0/s1
InChIKeyDQDFEBUIIIJOOX-XDKWHASVSA-N
MW249.15 g/mol
LogP1.38
Rot. Bonds5

About (2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide

(2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide (PubChem CID 103832999) 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-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide
PubChem CID103832999
Molecular FormulaC9H17BrN2O
Molecular Weight249.15 g/mol
Exact Mass248.05
IUPAC Name(2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide
SMILESC=C(Br)CNC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C9H17BrN2O/c1-4-6(2)8(11)9(13)12-5-7(3)10/h6,8H,3-5,11H2,1-2H3,(H,12,13)/t6?,8-/m0/s1
InChIKeyDQDFEBUIIIJOOX-XDKWHASVSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

(2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide
CID 104861241
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61173876
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide
CID 43515212
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
(2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 104929437
2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
CID 81489680
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S,3R)-2-amino-N-hydroxy-3-methylpentanamide
CID 129369774
2-amino-N-(2-bromoprop-2-enyl)hexanamide
CID 115753303

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide (CID 103832999) is (2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide is C=C(Br)CNC(=O)[C@@H](N)C(C)CC.
What is the InChIKey of (2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide?
The InChIKey is DQDFEBUIIIJOOX-XDKWHASVSA-N. The full InChI is InChI=1S/C9H17BrN2O/c1-4-6(2)8(11)9(13)12-5-7(3)10/h6,8H,3-5,11H2,1-2H3,(H,12,13)/t6?,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide?
(2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide has a molecular weight of 249.15 g/mol, XLogP of 1.38, 5 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-methylpentanamide is sourced from PubChem (CID 103832999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).