2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide

C8H15ClN2O — CID 115734359

IUPAC2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide
SMILESC=C(Cl)CNC(=O)C(N)C(C)C
InChIInChI=1S/C8H15ClN2O/c1-5(2)7(10)8(12)11-4-6(3)9/h5,7H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyJUHPGEYDJGDZRA-UHFFFAOYSA-N
MW190.67 g/mol
LogP0.84
Rot. Bonds4

About 2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide

2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide (PubChem CID 115734359) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide
PubChem CID115734359
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide
SMILESC=C(Cl)CNC(=O)C(N)C(C)C
InChIInChI=1S/C8H15ClN2O/c1-5(2)7(10)8(12)11-4-6(3)9/h5,7H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyJUHPGEYDJGDZRA-UHFFFAOYSA-N
XLogP0.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 104940094
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
CID 6993111
2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]acetic acid
CID 7004847
2-amino-N-(3,4-diamino-2,4-dioxobutyl)-3-methylbutanamide
CID 174452502
ethenyl 2-[(2-amino-3-methylbutanoyl)amino]acetate
CID 178083422
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
(2S)-2-amino-N-but-3-enyl-3-methylbutanamide
CID 104861330
(2S)-2-amino-3-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 82962341
(2S)-2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82961583
2-amino-N-(cyanomethyl)-3-methylbutanamide
CID 61253488

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide (CID 115734359) is 2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide is C=C(Cl)CNC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide?
The InChIKey is JUHPGEYDJGDZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O/c1-5(2)7(10)8(12)11-4-6(3)9/h5,7H,3-4,10H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide?
2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide has a molecular weight of 190.67 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloroprop-2-enyl)-3-methylbutanamide is sourced from PubChem (CID 115734359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).