4-hydroxy-2-(methylaminomethyl)butanoic acid

C6H13NO3 — CID 117236956

IUPAC4-hydroxy-2-(methylaminomethyl)butanoic acid
SMILESCNCC(CCO)C(=O)O
InChIInChI=1S/C6H13NO3/c1-7-4-5(2-3-8)6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeyYPSCRFNRXDTALD-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.71
Rot. Bonds5

About 4-hydroxy-2-(methylaminomethyl)butanoic acid

4-hydroxy-2-(methylaminomethyl)butanoic acid (PubChem CID 117236956) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 4-hydroxy-2-(methylaminomethyl)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-(methylaminomethyl)butanoic acid
PubChem CID117236956
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name4-hydroxy-2-(methylaminomethyl)butanoic acid
SMILESCNCC(CCO)C(=O)O
InChIInChI=1S/C6H13NO3/c1-7-4-5(2-3-8)6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeyYPSCRFNRXDTALD-UHFFFAOYSA-N
XLogP-0.71
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-(methylaminomethyl)butanoic acid
CID 117236960
2-(methylaminomethyl)butanedioic acid
CID 84651177
4-amino-2-(methylaminomethyl)-4-oxobutanoic acid
CID 89475350
(2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid
CID 59902215
2-(tert-butylsulfanylmethyl)-3-(methylamino)propanoic acid
CID 146645107
3-(hydroxymethyl)-4-(methylamino)butan-2-one
CID 59279741
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
4-hydroxy-2-(methylsulfonylmethyl)butanoic acid
CID 117236986
2-(2-hydroxyethyl)tetradecanoic acid
CID 54117326
2-(2-hydroxyethyl)octadecanoic acid
CID 19915552
(2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride
CID 170899624
(2R)-4-hydroxy-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]butanoic acid
CID 107828444

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(methylaminomethyl)butanoic acid?
The IUPAC name of 4-hydroxy-2-(methylaminomethyl)butanoic acid (CID 117236956) is 4-hydroxy-2-(methylaminomethyl)butanoic acid.
What is the SMILES notation for 4-hydroxy-2-(methylaminomethyl)butanoic acid?
The canonical SMILES for 4-hydroxy-2-(methylaminomethyl)butanoic acid is CNCC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-(methylaminomethyl)butanoic acid?
The InChIKey is YPSCRFNRXDTALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-7-4-5(2-3-8)6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10).
What are the key properties of 4-hydroxy-2-(methylaminomethyl)butanoic acid?
4-hydroxy-2-(methylaminomethyl)butanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(methylaminomethyl)butanoic acid is sourced from PubChem (CID 117236956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).