4-[(2-amino-4-hydroxybutyl)amino]butanoic acid

C8H18N2O3 — CID 122688127

IUPAC4-[(2-amino-4-hydroxybutyl)amino]butanoic acid
SMILESNC(CCO)CNCCCC(=O)O
InChIInChI=1S/C8H18N2O3/c9-7(3-5-11)6-10-4-1-2-8(12)13/h7,10-11H,1-6,9H2,(H,12,13)
InChIKeyIHGNZFBQZYUKCC-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.85
Rot. Bonds8

About 4-[(2-amino-4-hydroxybutyl)amino]butanoic acid

4-[(2-amino-4-hydroxybutyl)amino]butanoic acid (PubChem CID 122688127) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-[(2-amino-4-hydroxybutyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-amino-4-hydroxybutyl)amino]butanoic acid
PubChem CID122688127
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name4-[(2-amino-4-hydroxybutyl)amino]butanoic acid
SMILESNC(CCO)CNCCCC(=O)O
InChIInChI=1S/C8H18N2O3/c9-7(3-5-11)6-10-4-1-2-8(12)13/h7,10-11H,1-6,9H2,(H,12,13)
InChIKeyIHGNZFBQZYUKCC-UHFFFAOYSA-N
XLogP-0.85
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.85
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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Related Compounds

4-(2-methylpropylamino)butanoic acid
CID 18071581
4-(3-carboxypropylamino)butanoic acid
CID 4072500
4-[4-[13-(2-hydroxyethylamino)tridecylamino]butylamino]butanoic acid
CID 141446490
3-amino-4-(2-hydroxyethylamino)butanoic acid;azane
CID 88714646
bis((2S)-2-aminopropanoic acid);bis(16-(2-hydroxyethylamino)hexadecanoic acid)
CID 173329449
3-amino-4-(4-methylpentylamino)butanoic acid
CID 115241793
6,12-diaminoheptadecanedioic acid
CID 23455605
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
4-[2-[11-[2-(3-carboxypropylamino)ethylamino]undecylamino]ethylamino]butanoic acid
CID 87391029
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
3-amino-5-(3-hydroxypropylamino)pentan-1-ol
CID 87783733
4-[(2-methyl-3-methylsulfanylpropyl)amino]butanoic acid
CID 63966932

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-hydroxybutyl)amino]butanoic acid?
The IUPAC name of 4-[(2-amino-4-hydroxybutyl)amino]butanoic acid (CID 122688127) is 4-[(2-amino-4-hydroxybutyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-amino-4-hydroxybutyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-amino-4-hydroxybutyl)amino]butanoic acid is NC(CCO)CNCCCC(=O)O.
What is the InChIKey of 4-[(2-amino-4-hydroxybutyl)amino]butanoic acid?
The InChIKey is IHGNZFBQZYUKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c9-7(3-5-11)6-10-4-1-2-8(12)13/h7,10-11H,1-6,9H2,(H,12,13).
What are the key properties of 4-[(2-amino-4-hydroxybutyl)amino]butanoic acid?
4-[(2-amino-4-hydroxybutyl)amino]butanoic acid has a molecular weight of 190.24 g/mol, XLogP of -0.85, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-hydroxybutyl)amino]butanoic acid is sourced from PubChem (CID 122688127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).