2-(4-cyclopropylbutan-2-ylamino)hexanoic acid

C13H25NO2 — CID 122039580

IUPAC2-(4-cyclopropylbutan-2-ylamino)hexanoic acid
SMILESCCCCC(NC(C)CCC1CC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-3-4-5-12(13(15)16)14-10(2)6-7-11-8-9-11/h10-12,14H,3-9H2,1-2H3,(H,15,16)
InChIKeySLXXLWWHCLPETN-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.80
Rot. Bonds9

About 2-(4-cyclopropylbutan-2-ylamino)hexanoic acid

2-(4-cyclopropylbutan-2-ylamino)hexanoic acid (PubChem CID 122039580) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(4-cyclopropylbutan-2-ylamino)hexanoic acid.

Molecular Properties

Compound Name2-(4-cyclopropylbutan-2-ylamino)hexanoic acid
PubChem CID122039580
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(4-cyclopropylbutan-2-ylamino)hexanoic acid
SMILESCCCCC(NC(C)CCC1CC1)C(=O)O
InChIInChI=1S/C13H25NO2/c1-3-4-5-12(13(15)16)14-10(2)6-7-11-8-9-11/h10-12,14H,3-9H2,1-2H3,(H,15,16)
InChIKeySLXXLWWHCLPETN-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(pentan-2-ylamino)hexanoic acid
CID 103231809
2-(4-hydroxybutan-2-ylamino)hexanoic acid
CID 103262235
(2S)-2-(4,4-dimethylpentan-2-ylamino)hexanoic acid
CID 122044614
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(6-methylhept-5-en-2-ylamino)hexanoic acid
CID 122039686
(2S)-2-(6-methylhept-5-en-2-ylamino)hexanoic acid
CID 122044862
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid
CID 122039513
2-(2-cyclohexylethylamino)hexanoic acid
CID 103240091
(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
CID 120615360
3-(4-cyclopropylbutan-2-ylamino)-2-methyl-3-oxopropanoic acid
CID 122066546
2-(propan-2-ylamino)heptanoic acid
CID 43754297

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylbutan-2-ylamino)hexanoic acid?
The IUPAC name of 2-(4-cyclopropylbutan-2-ylamino)hexanoic acid (CID 122039580) is 2-(4-cyclopropylbutan-2-ylamino)hexanoic acid.
What is the SMILES notation for 2-(4-cyclopropylbutan-2-ylamino)hexanoic acid?
The canonical SMILES for 2-(4-cyclopropylbutan-2-ylamino)hexanoic acid is CCCCC(NC(C)CCC1CC1)C(=O)O.
What is the InChIKey of 2-(4-cyclopropylbutan-2-ylamino)hexanoic acid?
The InChIKey is SLXXLWWHCLPETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-4-5-12(13(15)16)14-10(2)6-7-11-8-9-11/h10-12,14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-cyclopropylbutan-2-ylamino)hexanoic acid?
2-(4-cyclopropylbutan-2-ylamino)hexanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylbutan-2-ylamino)hexanoic acid is sourced from PubChem (CID 122039580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).