(E)-2-amino-4-chlorobut-3-enoic acid

C4H6ClNO2 — CID 130003035

IUPAC(E)-2-amino-4-chlorobut-3-enoic acid
SMILESNC(/C=C/Cl)C(=O)O
InChIInChI=1S/C4H6ClNO2/c5-2-1-3(6)4(7)8/h1-3H,6H2,(H,7,8)/b2-1+
InChIKeyKXVCAYKOBGKUOY-OWOJBTEDSA-N
MW135.55 g/mol
LogP0.15
Rot. Bonds2

About (E)-2-amino-4-chlorobut-3-enoic acid

(E)-2-amino-4-chlorobut-3-enoic acid (PubChem CID 130003035) has the molecular formula C4H6ClNO2 and a molecular weight of 135.55 g/mol. Its IUPAC name is (E)-2-amino-4-chlorobut-3-enoic acid.

Molecular Properties

Compound Name(E)-2-amino-4-chlorobut-3-enoic acid
PubChem CID130003035
Molecular FormulaC4H6ClNO2
Molecular Weight135.55 g/mol
Exact Mass135.01
IUPAC Name(E)-2-amino-4-chlorobut-3-enoic acid
SMILESNC(/C=C/Cl)C(=O)O
InChIInChI=1S/C4H6ClNO2/c5-2-1-3(6)4(7)8/h1-3H,6H2,(H,7,8)/b2-1+
InChIKeyKXVCAYKOBGKUOY-OWOJBTEDSA-N
XLogP0.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.55
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (E)-2-amino-4-chlorobut-3-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

(2S,3Z)-2-aminohexa-3,5-dienoic acid
CID 11018881
(E)-2-amino-4-(4-chlorophenyl)but-3-enoic acid
CID 70434643
2-amino-4-ethylsulfonylbut-3-enoic acid
CID 90872903
(E,2R)-2-amino-5-phosphonopent-3-enoic acid
CID 14061809
(E,2S)-2-aminooct-3-enoic acid
CID 134212552
(2R)-2-amino-3-sulfinylpropanoic acid
CID 162721161
2-amino-3-sulfonylpropanoic acid
CID 22381085
acetic acid;2,2-diaminoacetic acid
CID 129094898
(E,2R)-2-amino-7-phosphonohept-3-enoic acid
CID 88508783
(2R)-2-amino-3-bromo-3-chloropropanoic acid
CID 141078930
(E)-2-amino-6-trimethylsilyloxyhex-3-enoic acid
CID 19764885
CID 20576804
CID 20576804

Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-4-chlorobut-3-enoic acid?
The IUPAC name of (E)-2-amino-4-chlorobut-3-enoic acid (CID 130003035) is (E)-2-amino-4-chlorobut-3-enoic acid.
What is the SMILES notation for (E)-2-amino-4-chlorobut-3-enoic acid?
The canonical SMILES for (E)-2-amino-4-chlorobut-3-enoic acid is NC(/C=C/Cl)C(=O)O.
What is the InChIKey of (E)-2-amino-4-chlorobut-3-enoic acid?
The InChIKey is KXVCAYKOBGKUOY-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H6ClNO2/c5-2-1-3(6)4(7)8/h1-3H,6H2,(H,7,8)/b2-1+.
What are the key properties of (E)-2-amino-4-chlorobut-3-enoic acid?
(E)-2-amino-4-chlorobut-3-enoic acid has a molecular weight of 135.55 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-4-chlorobut-3-enoic acid is sourced from PubChem (CID 130003035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).