5-amino-2-methoxypentanoic acid;hydrochloride

C6H14ClNO3 — CID 160515650

IUPAC5-amino-2-methoxypentanoic acid;hydrochloride
SMILESCOC(CCCN)C(=O)O.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-10-5(6(8)9)3-2-4-7;/h5H,2-4,7H2,1H3,(H,8,9);1H
InChIKeyQTPRDEBFMCFQOR-UHFFFAOYSA-N
MW183.63 g/mol
LogP0.25
Rot. Bonds5

About 5-amino-2-methoxypentanoic acid;hydrochloride

5-amino-2-methoxypentanoic acid;hydrochloride (PubChem CID 160515650) has the molecular formula C6H14ClNO3 and a molecular weight of 183.63 g/mol. Its IUPAC name is 5-amino-2-methoxypentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methoxypentanoic acid;hydrochloride
PubChem CID160515650
Molecular FormulaC6H14ClNO3
Molecular Weight183.63 g/mol
Exact Mass183.07
IUPAC Name5-amino-2-methoxypentanoic acid;hydrochloride
SMILESCOC(CCCN)C(=O)O.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-10-5(6(8)9)3-2-4-7;/h5H,2-4,7H2,1H3,(H,8,9);1H
InChIKeyQTPRDEBFMCFQOR-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-amino-2-methoxybutanoic acid
CID 124508923
2,7-dimethoxyoctanedioic acid
CID 22717305
(2S)-2-methoxyhexanoic acid
CID 129373931
2-methoxyhexadecanoic acid
CID 656825
2-methoxytetracosanoic acid
CID 10453501
2-methoxypentacosanoic acid
CID 10476799
2-methoxy-5-methylsulfanylpentanoic acid
CID 103090629
(2S)-2-methoxy-5-methylhexanoic acid
CID 158935693
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
(2R)-3-hydroxy-2-methoxypropanoic acid
CID 20849197
(Z)-2-methoxyoctadec-9-enoic acid
CID 46235517
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxypentanoic acid;hydrochloride?
The IUPAC name of 5-amino-2-methoxypentanoic acid;hydrochloride (CID 160515650) is 5-amino-2-methoxypentanoic acid;hydrochloride.
What is the SMILES notation for 5-amino-2-methoxypentanoic acid;hydrochloride?
The canonical SMILES for 5-amino-2-methoxypentanoic acid;hydrochloride is COC(CCCN)C(=O)O.Cl.
What is the InChIKey of 5-amino-2-methoxypentanoic acid;hydrochloride?
The InChIKey is QTPRDEBFMCFQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.ClH/c1-10-5(6(8)9)3-2-4-7;/h5H,2-4,7H2,1H3,(H,8,9);1H.
What are the key properties of 5-amino-2-methoxypentanoic acid;hydrochloride?
5-amino-2-methoxypentanoic acid;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxypentanoic acid;hydrochloride is sourced from PubChem (CID 160515650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).