5-amino-2-methylpent-2-enoic acid

C6H11NO2 — CID 53446953

IUPAC5-amino-2-methylpent-2-enoic acid
SMILESCC(=CCCN)C(=O)O
InChIInChI=1S/C6H11NO2/c1-5(6(8)9)3-2-4-7/h3H,2,4,7H2,1H3,(H,8,9)
InChIKeyUUZBMBGPWXYEQZ-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.37
Rot. Bonds3

About 5-amino-2-methylpent-2-enoic acid

5-amino-2-methylpent-2-enoic acid (PubChem CID 53446953) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 5-amino-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name5-amino-2-methylpent-2-enoic acid
PubChem CID53446953
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name5-amino-2-methylpent-2-enoic acid
SMILESCC(=CCCN)C(=O)O
InChIInChI=1S/C6H11NO2/c1-5(6(8)9)3-2-4-7/h3H,2,4,7H2,1H3,(H,8,9)
InChIKeyUUZBMBGPWXYEQZ-UHFFFAOYSA-N
XLogP0.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.37
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

4-Amino-2-methylbut-2-enoic acid
CID 10103145
(2E)-5-amino-2-methylpent-2-enoic acid hydrochloride
CID 87147155
2-Pentenoic acid, 5-amino-, (E)-
CID 6439117
5-Amino-2,4-dimethylpent-2-enoic acid hydrochloride
CID 146049507
CID 54336498
CID 54336498
4-Amino-2,5-dimethylhex-2-enoic acid
CID 57009858
6-Amino-2-methylhex-2-enoic acid
CID 57111516
2-Methyl-5-(methylamino)pent-2-enoic acid
CID 57317346
2-Aminoethyl methacrylic acid hydrochloride
CID 133053704
(2E)-5-amino-2-methylpent-2-enoic acid
CID 18596607
(2E)-2-(2-Aminoethyl)but-2-enoic acid
CID 72942032
5-Amino-2-(difluoromethyl)pent-2-enoic acid
CID 91287657

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylpent-2-enoic acid?
The IUPAC name of 5-amino-2-methylpent-2-enoic acid (CID 53446953) is 5-amino-2-methylpent-2-enoic acid.
What is the SMILES notation for 5-amino-2-methylpent-2-enoic acid?
The canonical SMILES for 5-amino-2-methylpent-2-enoic acid is CC(=CCCN)C(=O)O.
What is the InChIKey of 5-amino-2-methylpent-2-enoic acid?
The InChIKey is UUZBMBGPWXYEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(6(8)9)3-2-4-7/h3H,2,4,7H2,1H3,(H,8,9).
What are the key properties of 5-amino-2-methylpent-2-enoic acid?
5-amino-2-methylpent-2-enoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methylpent-2-enoic acid is sourced from PubChem (CID 53446953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).