azane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid

C14H31NO3 — CID 175093315

IUPACazane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid
SMILESCC(C)CCC(C)(CC(C)O)C(C)(C)C(=O)O.N
InChIInChI=1S/C14H28O3.H3N/c1-10(2)7-8-14(6,9-11(3)15)13(4,5)12(16)17;/h10-11,15H,7-9H2,1-6H3,(H,16,17);1H3
InChIKeyPMBFVWWMMBVPQA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.47
Rot. Bonds7

About azane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid

azane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid (PubChem CID 175093315) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is azane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid.

Molecular Properties

Compound Nameazane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid
PubChem CID175093315
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Nameazane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid
SMILESCC(C)CCC(C)(CC(C)O)C(C)(C)C(=O)O.N
InChIInChI=1S/C14H28O3.H3N/c1-10(2)7-8-14(6,9-11(3)15)13(4,5)12(16)17;/h10-11,15H,7-9H2,1-6H3,(H,16,17);1H3
InChIKeyPMBFVWWMMBVPQA-UHFFFAOYSA-N
XLogP3.47
TPSA92.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminopropan-2-yl)-3,6-dimethylheptanoic acid
CID 66089083
2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane
CID 173040977
2-methyl-2-(3-methylbutylsulfonyl)propanoic acid
CID 59253211
2-ethoxy-2,5-dimethylhexanoic acid
CID 78969490
3,3,6-trimethylheptan-2-one
CID 55274452
2-hydroxy-2-(hydroxymethyl)-5-methylhexanoic acid
CID 155744460
2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 59028266
2-[2,2-dimethylpropyl(methyl)amino]-2,5-dimethylhexanoic acid
CID 114999892
2,5-dimethyl-2-(4-methylpentoxy)hexanoic acid
CID 114994396
2,5,8-trimethylnonan-5-ol
CID 58574498
2-hydroxy-2,5-dimethylhexanamide
CID 62224009
2,2,5-trimethylhexanoyl 2,2,5-trimethylhexaneperoxoate
CID 21248465

Frequently Asked Questions

What is the IUPAC name of azane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid?
The IUPAC name of azane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid (CID 175093315) is azane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid.
What is the SMILES notation for azane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid?
The canonical SMILES for azane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid is CC(C)CCC(C)(CC(C)O)C(C)(C)C(=O)O.N.
What is the InChIKey of azane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid?
The InChIKey is PMBFVWWMMBVPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3.H3N/c1-10(2)7-8-14(6,9-11(3)15)13(4,5)12(16)17;/h10-11,15H,7-9H2,1-6H3,(H,16,17);1H3.
What are the key properties of azane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid?
azane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid has a molecular weight of 261.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(2-hydroxypropyl)-2,2,3,6-tetramethylheptanoic acid is sourced from PubChem (CID 175093315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).