4-(ethylamino)butanoic acid;2-methylprop-2-enoic acid

C10H19NO4 — CID 158108095

IUPAC4-(ethylamino)butanoic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCNCCCC(=O)O
InChIInChI=1S/C6H13NO2.C4H6O2/c1-2-7-5-3-4-6(8)9;1-3(2)4(5)6/h7H,2-5H2,1H3,(H,8,9);1H2,2H3,(H,5,6)
InChIKeyFQBVDKHWCNTPFR-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.11
Rot. Bonds6

About 4-(ethylamino)butanoic acid;2-methylprop-2-enoic acid

4-(ethylamino)butanoic acid;2-methylprop-2-enoic acid (PubChem CID 158108095) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-(ethylamino)butanoic acid;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name4-(ethylamino)butanoic acid;2-methylprop-2-enoic acid
PubChem CID158108095
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-(ethylamino)butanoic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCNCCCC(=O)O
InChIInChI=1S/C6H13NO2.C4H6O2/c1-2-7-5-3-4-6(8)9;1-3(2)4(5)6/h7H,2-5H2,1H3,(H,8,9);1H2,2H3,(H,5,6)
InChIKeyFQBVDKHWCNTPFR-UHFFFAOYSA-N
XLogP1.11
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)butanoic acid;2-methylprop-2-enoic acid?
The IUPAC name of 4-(ethylamino)butanoic acid;2-methylprop-2-enoic acid (CID 158108095) is 4-(ethylamino)butanoic acid;2-methylprop-2-enoic acid.
What is the SMILES notation for 4-(ethylamino)butanoic acid;2-methylprop-2-enoic acid?
The canonical SMILES for 4-(ethylamino)butanoic acid;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCNCCCC(=O)O.
What is the InChIKey of 4-(ethylamino)butanoic acid;2-methylprop-2-enoic acid?
The InChIKey is FQBVDKHWCNTPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C4H6O2/c1-2-7-5-3-4-6(8)9;1-3(2)4(5)6/h7H,2-5H2,1H3,(H,8,9);1H2,2H3,(H,5,6).
What are the key properties of 4-(ethylamino)butanoic acid;2-methylprop-2-enoic acid?
4-(ethylamino)butanoic acid;2-methylprop-2-enoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)butanoic acid;2-methylprop-2-enoic acid is sourced from PubChem (CID 158108095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).