(2S)-2-amino-4-(4-aminobutylamino)butanoic acid

C8H19N3O2 — CID 70678731

IUPAC(2S)-2-amino-4-(4-aminobutylamino)butanoic acid
SMILESNCCCCNCC[C@H](N)C(=O)O
InChIInChI=1S/C8H19N3O2/c9-4-1-2-5-11-6-3-7(10)8(12)13/h7,11H,1-6,9-10H2,(H,12,13)/t7-/m0/s1
InChIKeyICLFWLHIBPQMFT-ZETCQYMHSA-N
MW189.26 g/mol
LogP-0.88
Rot. Bonds8

About (2S)-2-amino-4-(4-aminobutylamino)butanoic acid

(2S)-2-amino-4-(4-aminobutylamino)butanoic acid (PubChem CID 70678731) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is (2S)-2-amino-4-(4-aminobutylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(4-aminobutylamino)butanoic acid
PubChem CID70678731
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name(2S)-2-amino-4-(4-aminobutylamino)butanoic acid
SMILESNCCCCNCC[C@H](N)C(=O)O
InChIInChI=1S/C8H19N3O2/c9-4-1-2-5-11-6-3-7(10)8(12)13/h7,11H,1-6,9-10H2,(H,12,13)/t7-/m0/s1
InChIKeyICLFWLHIBPQMFT-ZETCQYMHSA-N
XLogP-0.88
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (2S)-2-amino-4-(4-aminobutylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(4-aminobutylamino)butanoic acid (CID 70678731) is (2S)-2-amino-4-(4-aminobutylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(4-aminobutylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(4-aminobutylamino)butanoic acid is NCCCCNCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(4-aminobutylamino)butanoic acid?
The InChIKey is ICLFWLHIBPQMFT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H19N3O2/c9-4-1-2-5-11-6-3-7(10)8(12)13/h7,11H,1-6,9-10H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-(4-aminobutylamino)butanoic acid?
(2S)-2-amino-4-(4-aminobutylamino)butanoic acid has a molecular weight of 189.26 g/mol, XLogP of -0.88, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(4-aminobutylamino)butanoic acid is sourced from PubChem (CID 70678731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).