2-amino-3-methylidenepentanoic acid

C6H11NO2 — CID 12755839

IUPAC2-amino-3-methylidenepentanoic acid
SMILESC=C(CC)C(N)C(=O)O
InChIInChI=1S/C6H11NO2/c1-3-4(2)5(7)6(8)9/h5H,2-3,7H2,1H3,(H,8,9)
InChIKeySBTLHKXSISNXTP-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.36
Rot. Bonds3

About 2-amino-3-methylidenepentanoic acid

2-amino-3-methylidenepentanoic acid (PubChem CID 12755839) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-amino-3-methylidenepentanoic acid.

Molecular Properties

Compound Name2-amino-3-methylidenepentanoic acid
PubChem CID12755839
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-amino-3-methylidenepentanoic acid
SMILESC=C(CC)C(N)C(=O)O
InChIInChI=1S/C6H11NO2/c1-3-4(2)5(7)6(8)9/h5H,2-3,7H2,1H3,(H,8,9)
InChIKeySBTLHKXSISNXTP-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylidenepentanoic acid?
The IUPAC name of 2-amino-3-methylidenepentanoic acid (CID 12755839) is 2-amino-3-methylidenepentanoic acid.
What is the SMILES notation for 2-amino-3-methylidenepentanoic acid?
The canonical SMILES for 2-amino-3-methylidenepentanoic acid is C=C(CC)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-methylidenepentanoic acid?
The InChIKey is SBTLHKXSISNXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4(2)5(7)6(8)9/h5H,2-3,7H2,1H3,(H,8,9).
What are the key properties of 2-amino-3-methylidenepentanoic acid?
2-amino-3-methylidenepentanoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylidenepentanoic acid is sourced from PubChem (CID 12755839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).