4-amino-2-methylbut-3-enoic acid

C5H9NO2 — CID 54452883

IUPAC4-amino-2-methylbut-3-enoic acid
SMILESCC(C=CN)C(=O)O
InChIInChI=1S/C5H9NO2/c1-4(2-3-6)5(7)8/h2-4H,6H2,1H3,(H,7,8)
InChIKeySEDXTRJPENEZIC-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.18
Rot. Bonds2

About 4-amino-2-methylbut-3-enoic acid

4-amino-2-methylbut-3-enoic acid (PubChem CID 54452883) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 4-amino-2-methylbut-3-enoic acid.

Molecular Properties

Compound Name4-amino-2-methylbut-3-enoic acid
PubChem CID54452883
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name4-amino-2-methylbut-3-enoic acid
SMILESCC(C=CN)C(=O)O
InChIInChI=1S/C5H9NO2/c1-4(2-3-6)5(7)8/h2-4H,6H2,1H3,(H,7,8)
InChIKeySEDXTRJPENEZIC-UHFFFAOYSA-N
XLogP0.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2,5-dimethylhex-3-enedioic acid
CID 22630170
2,5-dimethylhex-3-enoic acid
CID 86132699
(E)-4-hydroxy-2-methylbut-3-enoic acid
CID 87832024
(3E)-2-methylhexa-3,5-dienoic acid
CID 22754992
(E)-2,6-dimethyloct-3-enoic acid
CID 155168797
3-[(E)-2-aminoethenyl]-5-methylhexanoic acid
CID 137422286
(2R)-2-aminopropanoic acid
CID 18611140
(2S)-2-aminopropanoic acid
CID 5950
(2S)-2-aminopropanoic acid
CID 18446182
2,4-dimethylpent-3-enoic acid;hydrochloride
CID 175476530
(E,2S,6S)-6-hydroxy-2,6,7,7-tetramethyloct-3-enoic acid
CID 131871839
2-methylpropanoic acid
CID 173073412

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylbut-3-enoic acid?
The IUPAC name of 4-amino-2-methylbut-3-enoic acid (CID 54452883) is 4-amino-2-methylbut-3-enoic acid.
What is the SMILES notation for 4-amino-2-methylbut-3-enoic acid?
The canonical SMILES for 4-amino-2-methylbut-3-enoic acid is CC(C=CN)C(=O)O.
What is the InChIKey of 4-amino-2-methylbut-3-enoic acid?
The InChIKey is SEDXTRJPENEZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4(2-3-6)5(7)8/h2-4H,6H2,1H3,(H,7,8).
What are the key properties of 4-amino-2-methylbut-3-enoic acid?
4-amino-2-methylbut-3-enoic acid has a molecular weight of 115.13 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylbut-3-enoic acid is sourced from PubChem (CID 54452883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).