Butanoic acid, 4-(methylamino)-, sodium salt (1:1)

C5H11NNaO2 — CID 162082656

IUPAC—
SMILESCNCCCC(=O)O.[Na]
InChIInChI=1S/C5H11NO2.Na/c1-6-4-2-3-5(7)8;/h6H,2-4H2,1H3,(H,7,8);
InChIKeyZCNSUVCCASIJIM-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.31
Rot. Bonds4

About Butanoic acid, 4-(methylamino)-, sodium salt (1:1)

Butanoic acid, 4-(methylamino)-, sodium salt (1:1) (PubChem CID 162082656) has the molecular formula C5H11NNaO2 and a molecular weight of 140.14 g/mol.

Molecular Properties

Compound NameButanoic acid, 4-(methylamino)-, sodium salt (1:1)
PubChem CID162082656
Molecular FormulaC5H11NNaO2
Molecular Weight140.14 g/mol
Exact Mass140.07
IUPAC Name—
SMILESCNCCCC(=O)O.[Na]
InChIInChI=1S/C5H11NO2.Na/c1-6-4-2-3-5(7)8;/h6H,2-4H2,1H3,(H,7,8);
InChIKeyZCNSUVCCASIJIM-UHFFFAOYSA-N
XLogP-0.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dilithium;hydride;4-(methylamino)butanoic acid
CID 173352430
disodium;hydride;4-(methylamino)butanoic acid;sulfane
CID 175037506
5-(methylamino)pentanoic acid
CID 91583432
6-(methylamino)hexanoic acid
CID 4989372
ethane;5-(methylamino)pentanoic acid
CID 178043439
4-[2-[2-[2-[4-(methylamino)butylamino]ethylamino]ethylamino]ethylamino]butanoic acid
CID 168831569
hexanoic acid;N-methyltridecan-1-amine
CID 173175224
7-[4-(methylamino)butanoylamino]heptanoic acid
CID 61158719
ethane;4-(methylamino)butanoic acid;toluene
CID 153336704
4-(methylamino)butanoic acid;2-methylpent-2-enoic acid
CID 173090742
10-[3-(methylamino)propylamino]-10-oxodecanoic acid
CID 87169049
8-[methyl-[4-(methylamino)butanoyl]amino]octanoic acid
CID 156569276

Frequently Asked Questions

What is the IUPAC name of Butanoic acid, 4-(methylamino)-, sodium salt (1:1)?
The IUPAC name of Butanoic acid, 4-(methylamino)-, sodium salt (1:1) (CID 162082656) is not available.
What is the SMILES notation for Butanoic acid, 4-(methylamino)-, sodium salt (1:1)?
The canonical SMILES for Butanoic acid, 4-(methylamino)-, sodium salt (1:1) is CNCCCC(=O)O.[Na].
What is the InChIKey of Butanoic acid, 4-(methylamino)-, sodium salt (1:1)?
The InChIKey is ZCNSUVCCASIJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.Na/c1-6-4-2-3-5(7)8;/h6H,2-4H2,1H3,(H,7,8);.
What are the key properties of Butanoic acid, 4-(methylamino)-, sodium salt (1:1)?
Butanoic acid, 4-(methylamino)-, sodium salt (1:1) has a molecular weight of 140.14 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Butanoic acid, 4-(methylamino)-, sodium salt (1:1) is sourced from PubChem (CID 162082656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).