2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid

C6H13NO3 — CID 106487157

IUPAC2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
SMILESCC(CN)(CCO)C(=O)O
InChIInChI=1S/C6H13NO3/c1-6(4-7,2-3-8)5(9)10/h8H,2-4,7H2,1H3,(H,9,10)
InChIKeyFZPNLXLIZWDPGD-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.58
Rot. Bonds4

About 2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid

2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid (PubChem CID 106487157) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
PubChem CID106487157
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid
SMILESCC(CN)(CCO)C(=O)O
InChIInChI=1S/C6H13NO3/c1-6(4-7,2-3-8)5(9)10/h8H,2-4,7H2,1H3,(H,9,10)
InChIKeyFZPNLXLIZWDPGD-UHFFFAOYSA-N
XLogP-0.58
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-5-ethylsulfanyl-2-methylpentanoic acid
CID 106487189
2-(aminomethyl)-2,4-dimethylpentanoic acid
CID 106487145
(3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid
CID 151869449
2-(aminomethyl)-4-[2-(2-butoxyethoxy)ethoxy]-2-methylbutanoic acid
CID 106487235
carbamic acid;3,3-dimethylbutan-1-ol
CID 71436896
cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
CID 174867740
4-amino-3,3-dimethylbutan-1-ol
CID 55290156
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;silver
CID 87183667
2-chloro-4-hydroxy-2-methylbutanoic acid
CID 54026852
2-(aminomethyl)-2-methyl-4-(oxolan-2-yl)butanoic acid
CID 106487285
2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid
CID 106488991
2-(aminomethyl)-8-anilino-2-methyloctanoic acid
CID 142774643

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid?
The IUPAC name of 2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid (CID 106487157) is 2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid?
The canonical SMILES for 2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid is CC(CN)(CCO)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid?
The InChIKey is FZPNLXLIZWDPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-6(4-7,2-3-8)5(9)10/h8H,2-4,7H2,1H3,(H,9,10).
What are the key properties of 2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid?
2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-hydroxy-2-methylbutanoic acid is sourced from PubChem (CID 106487157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).