2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride

C6H14ClNO3 — CID 66545696

IUPAC2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride
SMILESCOCCC(CN)C(=O)O.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-10-3-2-5(4-7)6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);1H
InChIKeyNHDNALAMABMPAK-UHFFFAOYSA-N
MW183.63 g/mol
LogP0.10
Rot. Bonds5

About 2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride

2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride (PubChem CID 66545696) has the molecular formula C6H14ClNO3 and a molecular weight of 183.63 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride
PubChem CID66545696
Molecular FormulaC6H14ClNO3
Molecular Weight183.63 g/mol
Exact Mass183.07
IUPAC Name2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride
SMILESCOCCC(CN)C(=O)O.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-10-3-2-5(4-7)6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);1H
InChIKeyNHDNALAMABMPAK-UHFFFAOYSA-N
XLogP0.10
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethyl)butanedioic acid
CID 13255587
2-(aminomethyl)-5-methoxy-4-methylpentanoic acid;hydrochloride
CID 122163311
2-(2-methoxyethyl)-4-oxobutanoic acid
CID 141105257
4-methoxy-2-(methylaminomethyl)butanoic acid
CID 117236960
6-methoxy-4-(2-methoxyethyl)-3-oxohexanoic acid
CID 174465837
2-(2-methoxyethyl)-8-methylnonanoic acid
CID 134561525
2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
CID 103416670
2-(aminomethyl)-4-methylsulfanylbutanoic acid
CID 55297456
2-(aminomethyl)-5,6-dimethylheptanoic acid
CID 142907975
(2S)-2-(aminomethyl)-5-ethylheptanoic acid
CID 11845860
2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
CID 174998177
2-(aminomethyl)-7-ethoxy-5-methylheptanoic acid
CID 142270027

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride?
The IUPAC name of 2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride (CID 66545696) is 2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride is COCCC(CN)C(=O)O.Cl.
What is the InChIKey of 2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride?
The InChIKey is NHDNALAMABMPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.ClH/c1-10-3-2-5(4-7)6(8)9;/h5H,2-4,7H2,1H3,(H,8,9);1H.
What are the key properties of 2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride?
2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride is sourced from PubChem (CID 66545696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).