5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid

C12H25NO3 — CID 169158624

IUPAC5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid
SMILESCC(C)(CN)COCC(C)(C)CCC(=O)O
InChIInChI=1S/C12H25NO3/c1-11(2,6-5-10(14)15)8-16-9-12(3,4)7-13/h5-9,13H2,1-4H3,(H,14,15)
InChIKeyMWNJUAFRAHSORN-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.88
Rot. Bonds8

About 5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid

5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid (PubChem CID 169158624) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid
PubChem CID169158624
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid
SMILESCC(C)(CN)COCC(C)(C)CCC(=O)O
InChIInChI=1S/C12H25NO3/c1-11(2,6-5-10(14)15)8-16-9-12(3,4)7-13/h5-9,13H2,1-4H3,(H,14,15)
InChIKeyMWNJUAFRAHSORN-UHFFFAOYSA-N
XLogP1.88
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-5,5-dimethylhexanoic acid;hydrochloride
CID 175554592
5-amino-4-methyl-4-sulfanylpentanoic acid
CID 21447959
4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid
CID 155297539
4,4-dimethylhexanoic acid
CID 12563914
6-amino-4,4,6-trimethylheptanoic acid
CID 137482851
7-methoxy-4,4,6,6-tetramethylheptanoic acid
CID 123236488
3-(3-methoxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-amine
CID 88929360
N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide
CID 170012588
4-amino-4-methylpentanoic acid
CID 158438218
4-amino-3,3-dimethylbutanoic acid
CID 910834
4,4-dimethyl-6-oxoheptanoic acid
CID 15559932
5-amino-4-(2-hydroxyethoxy)-4-methylpentanoic acid
CID 165493841

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid?
The IUPAC name of 5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid (CID 169158624) is 5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid.
What is the SMILES notation for 5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid?
The canonical SMILES for 5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid is CC(C)(CN)COCC(C)(C)CCC(=O)O.
What is the InChIKey of 5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid?
The InChIKey is MWNJUAFRAHSORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11(2,6-5-10(14)15)8-16-9-12(3,4)7-13/h5-9,13H2,1-4H3,(H,14,15).
What are the key properties of 5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid?
5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid has a molecular weight of 231.34 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid is sourced from PubChem (CID 169158624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).