(2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid

C6H9Cl2NO2 — CID 131128678

IUPAC(2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid
SMILESCC(C[C@H](N)C(=O)O)=C(Cl)Cl
InChIInChI=1S/C6H9Cl2NO2/c1-3(5(7)8)2-4(9)6(10)11/h4H,2,9H2,1H3,(H,10,11)/t4-/m0/s1
InChIKeyWETFCPWELPPIDW-BYPYZUCNSA-N
MW198.05 g/mol
LogP1.50
Rot. Bonds3

About (2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid

(2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid (PubChem CID 131128678) has the molecular formula C6H9Cl2NO2 and a molecular weight of 198.05 g/mol. Its IUPAC name is (2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid
PubChem CID131128678
Molecular FormulaC6H9Cl2NO2
Molecular Weight198.05 g/mol
Exact Mass197.00
IUPAC Name(2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid
SMILESCC(C[C@H](N)C(=O)O)=C(Cl)Cl
InChIInChI=1S/C6H9Cl2NO2/c1-3(5(7)8)2-4(9)6(10)11/h4H,2,9H2,1H3,(H,10,11)/t4-/m0/s1
InChIKeyWETFCPWELPPIDW-BYPYZUCNSA-N
XLogP1.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.05
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetyl chloride;2-aminobutanedioic acid
CID 174930999
(2S)-2-amino-4-oxopentanoic acid;benzene
CID 143542202
acetyl chloride;(2S)-2-amino-4-methylpentanoic acid;hydrochloride
CID 56924245
CID 173060561
CID 173060561
(2S)-2-amino-4-methylhex-4-enoic acid
CID 70268414
(2S)-2-aminobutanedioic acid;2-oxopropanoic acid
CID 87851778
(E)-2-amino-7-(diaminomethylideneamino)-4,5-dimethylhept-4-enoic acid
CID 46700879
2-aminobutanedioic acid;selane
CID 174828111
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-aminobutanedioic acid;molybdenum
CID 76550864
azanium (2S)-2-aminobutanedioic acid
CID 10130050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid?
The IUPAC name of (2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid (CID 131128678) is (2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid.
What is the SMILES notation for (2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid?
The canonical SMILES for (2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid is CC(C[C@H](N)C(=O)O)=C(Cl)Cl.
What is the InChIKey of (2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid?
The InChIKey is WETFCPWELPPIDW-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9Cl2NO2/c1-3(5(7)8)2-4(9)6(10)11/h4H,2,9H2,1H3,(H,10,11)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid?
(2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid has a molecular weight of 198.05 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5,5-dichloro-4-methylpent-4-enoic acid is sourced from PubChem (CID 131128678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).