azane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride

C9H20ClNO5 — CID 174945891

IUPACazane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride
SMILESCOC(=O)C(C)(C)CC(O)CC(=O)O.Cl.N
InChIInChI=1S/C9H16O5.ClH.H3N/c1-9(2,8(13)14-3)5-6(10)4-7(11)12;;/h6,10H,4-5H2,1-3H3,(H,11,12);1H;1H3
InChIKeyBMCYATJXPKQXPF-UHFFFAOYSA-N
MW257.71 g/mol
LogP1.00
Rot. Bonds5

About azane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride

azane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride (PubChem CID 174945891) has the molecular formula C9H20ClNO5 and a molecular weight of 257.71 g/mol. Its IUPAC name is azane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride.

Molecular Properties

Compound Nameazane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride
PubChem CID174945891
Molecular FormulaC9H20ClNO5
Molecular Weight257.71 g/mol
Exact Mass257.10
IUPAC Nameazane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride
SMILESCOC(=O)C(C)(C)CC(O)CC(=O)O.Cl.N
InChIInChI=1S/C9H16O5.ClH.H3N/c1-9(2,8(13)14-3)5-6(10)4-7(11)12;;/h6,10H,4-5H2,1-3H3,(H,11,12);1H;1H3
InChIKeyBMCYATJXPKQXPF-UHFFFAOYSA-N
XLogP1.00
TPSA118.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.71
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-hydroxy-4-methoxybutanoic acid
CID 124506936
dimethyl 7-hydroxy-2,2,12,12-tetramethyltridecanedioate
CID 59660139
(3S)-3-amino-4-[[(2S)-1-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 73347171
dimethyl 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 20792103
methane;methyl 2,2-dimethylbutanoate
CID 161256043
3-hydroxy-2,2-dimethylpropanoic acid;methyl 3-hydroxy-2,2-dimethylpropanoate
CID 159359764
methyl 2-methyl-2-(sulfanylamino)propanoate
CID 59695497
4-hydroxy-6-methoxy-3,6-dimethylheptanoic acid
CID 106676229
9-methoxy-8,8-dimethyl-9-oxononanoic acid
CID 156679792
2-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]acetic acid
CID 123134771
methyl 3-[(3-methoxy-2,2-dimethyl-3-oxopropyl)diazenyl]-2,2-dimethylpropanoate
CID 141343255
azane;methyl 2,2-dimethyl-4-sulfanylbutanoate;hydrobromide
CID 173206443

Frequently Asked Questions

What is the IUPAC name of azane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride?
The IUPAC name of azane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride (CID 174945891) is azane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride.
What is the SMILES notation for azane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride?
The canonical SMILES for azane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride is COC(=O)C(C)(C)CC(O)CC(=O)O.Cl.N.
What is the InChIKey of azane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride?
The InChIKey is BMCYATJXPKQXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5.ClH.H3N/c1-9(2,8(13)14-3)5-6(10)4-7(11)12;;/h6,10H,4-5H2,1-3H3,(H,11,12);1H;1H3.
What are the key properties of azane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride?
azane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride has a molecular weight of 257.71 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-hydroxy-6-methoxy-5,5-dimethyl-6-oxohexanoic acid;hydrochloride is sourced from PubChem (CID 174945891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).