2-amino-2-methylpent-3-enoic acid

C6H11NO2 — CID 85212787

IUPAC2-amino-2-methylpent-3-enoic acid
SMILESCC=CC(C)(N)C(=O)O
InChIInChI=1S/C6H11NO2/c1-3-4-6(2,7)5(8)9/h3-4H,7H2,1-2H3,(H,8,9)
InChIKeyIUIZJMOGTAAWEC-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.36
Rot. Bonds2

About 2-amino-2-methylpent-3-enoic acid

2-amino-2-methylpent-3-enoic acid (PubChem CID 85212787) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-amino-2-methylpent-3-enoic acid.

Molecular Properties

Compound Name2-amino-2-methylpent-3-enoic acid
PubChem CID85212787
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-amino-2-methylpent-3-enoic acid
SMILESCC=CC(C)(N)C(=O)O
InChIInChI=1S/C6H11NO2/c1-3-4-6(2,7)5(8)9/h3-4H,7H2,1-2H3,(H,8,9)
InChIKeyIUIZJMOGTAAWEC-UHFFFAOYSA-N
XLogP0.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,6-diamino-2-methylhex-3-enoic acid
CID 22630107
2,6-diamino-2-methylhex-3-enoic acid;dihydrochloride
CID 85044432
(E)-2,2-dimethylpent-3-enoic acid
CID 5367768
(E)-2-amino-2-methylhept-3-enoic acid
CID 87097454
(E,2S)-2-amino-2-ethylpent-3-enoic acid
CID 55284732
(E)-2,6-diamino-2-methylhept-3-enedioic acid
CID 22297949
2,3-dihydroxy-2-methyl-3-prop-1-enylbutanedioic acid
CID 172760042
pent-3-ene-2,2-diamine
CID 154022958
2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
CID 173177783
5-amino-5-methylocta-2,6-dienoic acid
CID 90914622
2-amino-2-sulfanylpropanoic acid
CID 22715625
tert-butyl hydrogen carbonate;2-methylpropan-2-amine
CID 173023605

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpent-3-enoic acid?
The IUPAC name of 2-amino-2-methylpent-3-enoic acid (CID 85212787) is 2-amino-2-methylpent-3-enoic acid.
What is the SMILES notation for 2-amino-2-methylpent-3-enoic acid?
The canonical SMILES for 2-amino-2-methylpent-3-enoic acid is CC=CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methylpent-3-enoic acid?
The InChIKey is IUIZJMOGTAAWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4-6(2,7)5(8)9/h3-4H,7H2,1-2H3,(H,8,9).
What are the key properties of 2-amino-2-methylpent-3-enoic acid?
2-amino-2-methylpent-3-enoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpent-3-enoic acid is sourced from PubChem (CID 85212787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).