4-(ethylamino)-2-methylidenebutanoic acid

C7H13NO2 — CID 23065076

IUPAC4-(ethylamino)-2-methylidenebutanoic acid
SMILESC=C(CCNCC)C(=O)O
InChIInChI=1S/C7H13NO2/c1-3-8-5-4-6(2)7(9)10/h8H,2-5H2,1H3,(H,9,10)
InChIKeyDYXGNBKUKMAAFX-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.63
Rot. Bonds5

About 4-(ethylamino)-2-methylidenebutanoic acid

4-(ethylamino)-2-methylidenebutanoic acid (PubChem CID 23065076) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-(ethylamino)-2-methylidenebutanoic acid.

Molecular Properties

Compound Name4-(ethylamino)-2-methylidenebutanoic acid
PubChem CID23065076
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-(ethylamino)-2-methylidenebutanoic acid
SMILESC=C(CCNCC)C(=O)O
InChIInChI=1S/C7H13NO2/c1-3-8-5-4-6(2)7(9)10/h8H,2-5H2,1H3,(H,9,10)
InChIKeyDYXGNBKUKMAAFX-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-methylidenebutanoic acid?
The IUPAC name of 4-(ethylamino)-2-methylidenebutanoic acid (CID 23065076) is 4-(ethylamino)-2-methylidenebutanoic acid.
What is the SMILES notation for 4-(ethylamino)-2-methylidenebutanoic acid?
The canonical SMILES for 4-(ethylamino)-2-methylidenebutanoic acid is C=C(CCNCC)C(=O)O.
What is the InChIKey of 4-(ethylamino)-2-methylidenebutanoic acid?
The InChIKey is DYXGNBKUKMAAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-8-5-4-6(2)7(9)10/h8H,2-5H2,1H3,(H,9,10).
What are the key properties of 4-(ethylamino)-2-methylidenebutanoic acid?
4-(ethylamino)-2-methylidenebutanoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-methylidenebutanoic acid is sourced from PubChem (CID 23065076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).