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

C5H9NO2 — CID 15383277

IUPAC2-amino-3-methylbut-2-enoic acid
SMILESCC(C)=C(N)C(=O)O
InChIInChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h6H2,1-2H3,(H,7,8)
InChIKeyMNDXTFKURVNNSY-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.32
Rot. Bonds1

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

2-amino-3-methylbut-2-enoic acid (PubChem CID 15383277) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2-amino-3-methylbut-2-enoic acid.

Molecular Properties

Compound Name2-amino-3-methylbut-2-enoic acid
PubChem CID15383277
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2-amino-3-methylbut-2-enoic acid
SMILESCC(C)=C(N)C(=O)O
InChIInChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h6H2,1-2H3,(H,7,8)
InChIKeyMNDXTFKURVNNSY-UHFFFAOYSA-N
XLogP0.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-amino-3-hydroxybut-2-enoic acid
CID 54736301
acetamide
CID 139024037
acetic acid;carbamic acid;silane
CID 174514013
3-amino-2-methylbut-2-enoic acid
CID 6713463
3-amino-2-methyl-4-oxohept-2-enoic acid
CID 173202230
acetamide;titanium
CID 159756610
acetamide;alumane
CID 174673000
acetamide;bismuthane
CID 174469104
manganese(2+);2-oxopropanoic acid
CID 162367990
acetamide;rhodium(2+)
CID 159449063
acetic acid;octadecakis(guanidine)
CID 175088654
acetic acid;pentakis(guanidine)
CID 174792068

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbut-2-enoic acid?
The IUPAC name of 2-amino-3-methylbut-2-enoic acid (CID 15383277) is 2-amino-3-methylbut-2-enoic acid.
What is the SMILES notation for 2-amino-3-methylbut-2-enoic acid?
The canonical SMILES for 2-amino-3-methylbut-2-enoic acid is CC(C)=C(N)C(=O)O.
What is the InChIKey of 2-amino-3-methylbut-2-enoic acid?
The InChIKey is MNDXTFKURVNNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h6H2,1-2H3,(H,7,8).
What are the key properties of 2-amino-3-methylbut-2-enoic acid?
2-amino-3-methylbut-2-enoic acid has a molecular weight of 115.13 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbut-2-enoic acid is sourced from PubChem (CID 15383277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).