3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride

C6H14ClNO3 — CID 75476847

IUPAC3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride
SMILESCC(CN)(CO)CC(=O)O.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-6(3-7,4-8)2-5(9)10;/h8H,2-4,7H2,1H3,(H,9,10);1H
InChIKeyQZTQSGPKEXLIOW-UHFFFAOYSA-N
MW183.63 g/mol
LogP-0.16
Rot. Bonds4

About 3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride

3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride (PubChem CID 75476847) has the molecular formula C6H14ClNO3 and a molecular weight of 183.63 g/mol. Its IUPAC name is 3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride
PubChem CID75476847
Molecular FormulaC6H14ClNO3
Molecular Weight183.63 g/mol
Exact Mass183.07
IUPAC Name3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride
SMILESCC(CN)(CO)CC(=O)O.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-6(3-7,4-8)2-5(9)10;/h8H,2-4,7H2,1H3,(H,9,10);1H
InChIKeyQZTQSGPKEXLIOW-UHFFFAOYSA-N
XLogP-0.16
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(aminomethyl)-3-methylheptanoic acid
CID 102044731
4-amino-3,3-dimethylbutanoic acid
CID 910834
3-(aminomethyl)-3-methyl-5-phenylpentanoic acid
CID 66097262
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072
2,2-dimethylbutanedioic acid;hydrochloride
CID 87625816
2-(hydroxymethyl)-2-methylpropane-1,3-diol;tetrakis(2-methylprop-2-enoic acid)
CID 158865662
3-(aminomethyl)-5-(4-methoxyphenyl)-3-methylpentanoic acid
CID 66097459
3,5-dihydroxy-3,4,4-trimethylpentanoic acid
CID 19778708
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
3,3-dimethylbutanoic acid;yttrium
CID 59798482
3-amino-3-(carboxymethyl)pentanedioic acid;hydrochloride
CID 141270736
2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride?
The IUPAC name of 3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride (CID 75476847) is 3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride is CC(CN)(CO)CC(=O)O.Cl.
What is the InChIKey of 3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride?
The InChIKey is QZTQSGPKEXLIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.ClH/c1-6(3-7,4-8)2-5(9)10;/h8H,2-4,7H2,1H3,(H,9,10);1H.
What are the key properties of 3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride?
3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-hydroxy-3-methylbutanoic acid;hydrochloride is sourced from PubChem (CID 75476847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).