2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid

C12H25NO3 — CID 122039513

IUPAC2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid
SMILESCCCCC(NC(C)COC(C)C)C(=O)O
InChIInChI=1S/C12H25NO3/c1-5-6-7-11(12(14)15)13-10(4)8-16-9(2)3/h9-11,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyMMQFNMYFLDFQBS-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.03
Rot. Bonds9

About 2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid

2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid (PubChem CID 122039513) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid.

Molecular Properties

Compound Name2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid
PubChem CID122039513
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid
SMILESCCCCC(NC(C)COC(C)C)C(=O)O
InChIInChI=1S/C12H25NO3/c1-5-6-7-11(12(14)15)13-10(4)8-16-9(2)3/h9-11,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyMMQFNMYFLDFQBS-UHFFFAOYSA-N
XLogP2.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(pentan-2-ylamino)hexanoic acid
CID 103231809
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(4-hydroxybutan-2-ylamino)hexanoic acid
CID 103262235
(2S)-2-(4,4-dimethylpentan-2-ylamino)hexanoic acid
CID 122044614
(2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid
CID 107144537
2-(4-cyclopropylbutan-2-ylamino)hexanoic acid
CID 122039580
2-(6-methylhept-5-en-2-ylamino)hexanoic acid
CID 122039686
(2S)-2-(6-methylhept-5-en-2-ylamino)hexanoic acid
CID 122044862
2-(propan-2-ylamino)heptanoic acid
CID 43754297
(2S)-2-[1-(3,4-dichlorophenoxy)propan-2-ylamino]hexanoic acid
CID 122044613
5-methoxy-2-(pentan-2-ylamino)pentanoic acid
CID 107886535
2-(1-phenylpropan-2-ylamino)hexanoic acid
CID 103250487

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid?
The IUPAC name of 2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid (CID 122039513) is 2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid.
What is the SMILES notation for 2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid?
The canonical SMILES for 2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid is CCCCC(NC(C)COC(C)C)C(=O)O.
What is the InChIKey of 2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid?
The InChIKey is MMQFNMYFLDFQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-5-6-7-11(12(14)15)13-10(4)8-16-9(2)3/h9-11,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid?
2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid has a molecular weight of 231.34 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid is sourced from PubChem (CID 122039513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).