(2S)-2-amino-4-chloro-N-methylpent-4-enamide

C6H11ClN2O — CID 45101850

IUPAC(2S)-2-amino-4-chloro-N-methylpent-4-enamide
SMILESC=C(Cl)C[C@H](N)C(=O)NC
InChIInChI=1S/C6H11ClN2O/c1-4(7)3-5(8)6(10)9-2/h5H,1,3,8H2,2H3,(H,9,10)/t5-/m0/s1
InChIKeyHWKWBNZWXBELRY-YFKPBYRVSA-N
MW162.62 g/mol
LogP0.20
Rot. Bonds3

About (2S)-2-amino-4-chloro-N-methylpent-4-enamide

(2S)-2-amino-4-chloro-N-methylpent-4-enamide (PubChem CID 45101850) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is (2S)-2-amino-4-chloro-N-methylpent-4-enamide.

Molecular Properties

Compound Name(2S)-2-amino-4-chloro-N-methylpent-4-enamide
PubChem CID45101850
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name(2S)-2-amino-4-chloro-N-methylpent-4-enamide
SMILESC=C(Cl)C[C@H](N)C(=O)NC
InChIInChI=1S/C6H11ClN2O/c1-4(7)3-5(8)6(10)9-2/h5H,1,3,8H2,2H3,(H,9,10)/t5-/m0/s1
InChIKeyHWKWBNZWXBELRY-YFKPBYRVSA-N
XLogP0.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide
CID 142641958
(2R)-2-amino-N-methylbutanamide
CID 14888796
(4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide
CID 144506280
2-amino-N,5-dimethylhexanamide
CID 116850475
(2S)-2-amino-N,6-dimethylheptanamide
CID 166554166
(2S,4S,5S)-5-amino-2-(2-chloroprop-2-enyl)-6-cyclohexyl-4-hydroxy-N-methylhexanamide
CID 87616387
(2S)-2-amino-N-methylhexanamide;hydrochloride
CID 141190381
2-amino-5-hydroxy-N-methylpentanamide;ethane
CID 155713743
2-amino-N-methyl-4-methylsulfinylbutanamide
CID 58684641
2,6-diamino-N-methylhexanamide;ethane
CID 142474602
2-amino-N-methyltetradecanamide
CID 88912425
2-amino-6-hydrazinyl-N-methylhexanamide
CID 167194114

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-chloro-N-methylpent-4-enamide?
The IUPAC name of (2S)-2-amino-4-chloro-N-methylpent-4-enamide (CID 45101850) is (2S)-2-amino-4-chloro-N-methylpent-4-enamide.
What is the SMILES notation for (2S)-2-amino-4-chloro-N-methylpent-4-enamide?
The canonical SMILES for (2S)-2-amino-4-chloro-N-methylpent-4-enamide is C=C(Cl)C[C@H](N)C(=O)NC.
What is the InChIKey of (2S)-2-amino-4-chloro-N-methylpent-4-enamide?
The InChIKey is HWKWBNZWXBELRY-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11ClN2O/c1-4(7)3-5(8)6(10)9-2/h5H,1,3,8H2,2H3,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-4-chloro-N-methylpent-4-enamide?
(2S)-2-amino-4-chloro-N-methylpent-4-enamide has a molecular weight of 162.62 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-chloro-N-methylpent-4-enamide is sourced from PubChem (CID 45101850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).