2-(4-aminobutylamino)acetic acid

C6H14N2O2 — CID 10909707

IUPAC2-(4-aminobutylamino)acetic acid
SMILESNCCCCNCC(=O)O
InChIInChI=1S/C6H14N2O2/c7-3-1-2-4-8-5-6(9)10/h8H,1-5,7H2,(H,9,10)
InChIKeyOGAULEBSQQMUKP-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.60
Rot. Bonds6

About 2-(4-aminobutylamino)acetic acid

2-(4-aminobutylamino)acetic acid (PubChem CID 10909707) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(4-aminobutylamino)acetic acid.

Molecular Properties

Compound Name2-(4-aminobutylamino)acetic acid
PubChem CID10909707
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2-(4-aminobutylamino)acetic acid
SMILESNCCCCNCC(=O)O
InChIInChI=1S/C6H14N2O2/c7-3-1-2-4-8-5-6(9)10/h8H,1-5,7H2,(H,9,10)
InChIKeyOGAULEBSQQMUKP-UHFFFAOYSA-N
XLogP-0.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.60
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutylamino)acetic acid?
The IUPAC name of 2-(4-aminobutylamino)acetic acid (CID 10909707) is 2-(4-aminobutylamino)acetic acid.
What is the SMILES notation for 2-(4-aminobutylamino)acetic acid?
The canonical SMILES for 2-(4-aminobutylamino)acetic acid is NCCCCNCC(=O)O.
What is the InChIKey of 2-(4-aminobutylamino)acetic acid?
The InChIKey is OGAULEBSQQMUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c7-3-1-2-4-8-5-6(9)10/h8H,1-5,7H2,(H,9,10).
What are the key properties of 2-(4-aminobutylamino)acetic acid?
2-(4-aminobutylamino)acetic acid has a molecular weight of 146.19 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutylamino)acetic acid is sourced from PubChem (CID 10909707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).