4-[hydroxy(methyl)amino]butanoic acid

C5H11NO3 — CID 130868262

IUPAC4-[hydroxy(methyl)amino]butanoic acid
SMILESCN(O)CCCC(=O)O
InChIInChI=1S/C5H11NO3/c1-6(9)4-2-3-5(7)8/h9H,2-4H2,1H3,(H,7,8)
InChIKeyIKBGTYNDSZBJLR-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.17
Rot. Bonds4

About 4-[hydroxy(methyl)amino]butanoic acid

4-[hydroxy(methyl)amino]butanoic acid (PubChem CID 130868262) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 4-[hydroxy(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[hydroxy(methyl)amino]butanoic acid
PubChem CID130868262
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name4-[hydroxy(methyl)amino]butanoic acid
SMILESCN(O)CCCC(=O)O
InChIInChI=1S/C5H11NO3/c1-6(9)4-2-3-5(7)8/h9H,2-4H2,1H3,(H,7,8)
InChIKeyIKBGTYNDSZBJLR-UHFFFAOYSA-N
XLogP0.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
4-[methyl(methylamino)amino]butanoic acid
CID 143573118
4-[carboxymethyl(hydroxy)amino]butanoic acid
CID 87101408
5-[hydroxy(methyl)amino]-5-oxopentanoic acid
CID 46224091
4-[2-fluoroethyl(methyl)amino]butanoic acid
CID 80694935
4-[bis(2-carboxyethyl)amino]butanoic acid
CID 82330594
4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
CID 58066360
5-[carboxy(methyl)amino]pentanoic acid
CID 89340824
2-(dimethylamino)ethanol;hexanedioic acid
CID 159637742
4-[methyl-(2,3,4,5,6-pentafluorobenzoyl)amino]butanoic acid
CID 43403414
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
4-[methyl(prop-2-enoyl)amino]butanoic acid
CID 43151837

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(methyl)amino]butanoic acid?
The IUPAC name of 4-[hydroxy(methyl)amino]butanoic acid (CID 130868262) is 4-[hydroxy(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[hydroxy(methyl)amino]butanoic acid?
The canonical SMILES for 4-[hydroxy(methyl)amino]butanoic acid is CN(O)CCCC(=O)O.
What is the InChIKey of 4-[hydroxy(methyl)amino]butanoic acid?
The InChIKey is IKBGTYNDSZBJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-6(9)4-2-3-5(7)8/h9H,2-4H2,1H3,(H,7,8).
What are the key properties of 4-[hydroxy(methyl)amino]butanoic acid?
4-[hydroxy(methyl)amino]butanoic acid has a molecular weight of 133.15 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(methyl)amino]butanoic acid is sourced from PubChem (CID 130868262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).