4-(methylamino)-2-methylidenebutanoic acid

C6H11NO2 — CID 20574747

IUPAC4-(methylamino)-2-methylidenebutanoic acid
SMILESC=C(CCNC)C(=O)O
InChIInChI=1S/C6H11NO2/c1-5(6(8)9)3-4-7-2/h7H,1,3-4H2,2H3,(H,8,9)
InChIKeyKLTVFXRQPPTKCJ-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.24
Rot. Bonds4

About 4-(methylamino)-2-methylidenebutanoic acid

4-(methylamino)-2-methylidenebutanoic acid (PubChem CID 20574747) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-(methylamino)-2-methylidenebutanoic acid.

Molecular Properties

Compound Name4-(methylamino)-2-methylidenebutanoic acid
PubChem CID20574747
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name4-(methylamino)-2-methylidenebutanoic acid
SMILESC=C(CCNC)C(=O)O
InChIInChI=1S/C6H11NO2/c1-5(6(8)9)3-4-7-2/h7H,1,3-4H2,2H3,(H,8,9)
InChIKeyKLTVFXRQPPTKCJ-UHFFFAOYSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.24
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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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-methylidenebutanoic acid?
The IUPAC name of 4-(methylamino)-2-methylidenebutanoic acid (CID 20574747) is 4-(methylamino)-2-methylidenebutanoic acid.
What is the SMILES notation for 4-(methylamino)-2-methylidenebutanoic acid?
The canonical SMILES for 4-(methylamino)-2-methylidenebutanoic acid is C=C(CCNC)C(=O)O.
What is the InChIKey of 4-(methylamino)-2-methylidenebutanoic acid?
The InChIKey is KLTVFXRQPPTKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(6(8)9)3-4-7-2/h7H,1,3-4H2,2H3,(H,8,9).
What are the key properties of 4-(methylamino)-2-methylidenebutanoic acid?
4-(methylamino)-2-methylidenebutanoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-methylidenebutanoic acid is sourced from PubChem (CID 20574747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).