4-(3-carboxypropylamino)butanoic acid

C8H15NO4 — CID 4072500

IUPAC4-(3-carboxypropylamino)butanoic acid
SMILESO=C(O)CCCNCCCC(=O)O
InChIInChI=1S/C8H15NO4/c10-7(11)3-1-5-9-6-2-4-8(12)13/h9H,1-6H2,(H,10,11)(H,12,13)
InChIKeyHBUXNNBOWNIKNE-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.31
Rot. Bonds8

About 4-(3-carboxypropylamino)butanoic acid

4-(3-carboxypropylamino)butanoic acid (PubChem CID 4072500) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-(3-carboxypropylamino)butanoic acid.

Molecular Properties

Compound Name4-(3-carboxypropylamino)butanoic acid
PubChem CID4072500
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name4-(3-carboxypropylamino)butanoic acid
SMILESO=C(O)CCCNCCCC(=O)O
InChIInChI=1S/C8H15NO4/c10-7(11)3-1-5-9-6-2-4-8(12)13/h9H,1-6H2,(H,10,11)(H,12,13)
InChIKeyHBUXNNBOWNIKNE-UHFFFAOYSA-N
XLogP0.31
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
4-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]butanoic acid
CID 175848152
4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid
CID 141446490
4-[23-(hydroxyamino)tricosylamino]butanoic acid
CID 141334650
4-[2-[2-[2-[4-(methylamino)butylamino]ethylamino]ethylamino]ethylamino]butanoic acid
CID 168831569
4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
CID 139888388
4-(2-sulfamoylethylamino)butanoic acid
CID 114385317
sodium;hydride;4-(octadecylamino)butanoic acid
CID 175150235
N-butylbutan-1-amine;decanedioic acid
CID 159923840
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671

Frequently Asked Questions

What is the IUPAC name of 4-(3-carboxypropylamino)butanoic acid?
The IUPAC name of 4-(3-carboxypropylamino)butanoic acid (CID 4072500) is 4-(3-carboxypropylamino)butanoic acid.
What is the SMILES notation for 4-(3-carboxypropylamino)butanoic acid?
The canonical SMILES for 4-(3-carboxypropylamino)butanoic acid is O=C(O)CCCNCCCC(=O)O.
What is the InChIKey of 4-(3-carboxypropylamino)butanoic acid?
The InChIKey is HBUXNNBOWNIKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c10-7(11)3-1-5-9-6-2-4-8(12)13/h9H,1-6H2,(H,10,11)(H,12,13).
What are the key properties of 4-(3-carboxypropylamino)butanoic acid?
4-(3-carboxypropylamino)butanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carboxypropylamino)butanoic acid is sourced from PubChem (CID 4072500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).