(2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide

C7H13BrN2O — CID 104861241

IUPAC(2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide
SMILESC=C(Br)CNC(=O)[C@H](N)CC
InChIInChI=1S/C7H13BrN2O/c1-3-6(9)7(11)10-4-5(2)8/h6H,2-4,9H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyRUZMXTKRILLIRZ-ZCFIWIBFSA-N
MW221.10 g/mol
LogP0.75
Rot. Bonds4

About (2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide

(2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide (PubChem CID 104861241) has the molecular formula C7H13BrN2O and a molecular weight of 221.10 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide
PubChem CID104861241
Molecular FormulaC7H13BrN2O
Molecular Weight221.10 g/mol
Exact Mass220.02
IUPAC Name(2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide
SMILESC=C(Br)CNC(=O)[C@H](N)CC
InChIInChI=1S/C7H13BrN2O/c1-3-6(9)7(11)10-4-5(2)8/h6H,2-4,9H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyRUZMXTKRILLIRZ-ZCFIWIBFSA-N
XLogP0.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.10
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-bromoprop-2-enyl)hexanamide
CID 115753303
(2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide
CID 103832999
2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43649575
2-amino-N-[2-[2-[2-(hydroxymethylamino)ethoxy]ethoxy]ethyl]butanamide
CID 122551407
(2S)-2-amino-N-(2-bromoprop-2-enyl)-3-(3,4-dihydroxyphenyl)propanamide
CID 113465062
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide
CID 115738674
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 79025256
(2S)-2-amino-N-(2-methylprop-2-enyl)pentanamide
CID 107570801
(2R)-2-amino-N-(2-methylsulfanylpropyl)butanamide
CID 104861437
(2R)-2-amino-N-methylbutanamide
CID 14888796
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 103794285

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide?
The IUPAC name of (2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide (CID 104861241) is (2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide?
The canonical SMILES for (2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide is C=C(Br)CNC(=O)[C@H](N)CC.
What is the InChIKey of (2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide?
The InChIKey is RUZMXTKRILLIRZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13BrN2O/c1-3-6(9)7(11)10-4-5(2)8/h6H,2-4,9H2,1H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide?
(2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide has a molecular weight of 221.10 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide is sourced from PubChem (CID 104861241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).