2-(pentan-2-ylamino)hexanoic acid

C11H23NO2 — CID 103231809

IUPAC2-(pentan-2-ylamino)hexanoic acid
SMILESCCCCC(NC(C)CCC)C(=O)O
InChIInChI=1S/C11H23NO2/c1-4-6-8-10(11(13)14)12-9(3)7-5-2/h9-10,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyWKRMASCOZXJPDS-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.41
Rot. Bonds8

About 2-(pentan-2-ylamino)hexanoic acid

2-(pentan-2-ylamino)hexanoic acid (PubChem CID 103231809) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(pentan-2-ylamino)hexanoic acid.

Molecular Properties

Compound Name2-(pentan-2-ylamino)hexanoic acid
PubChem CID103231809
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(pentan-2-ylamino)hexanoic acid
SMILESCCCCC(NC(C)CCC)C(=O)O
InChIInChI=1S/C11H23NO2/c1-4-6-8-10(11(13)14)12-9(3)7-5-2/h9-10,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyWKRMASCOZXJPDS-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(pentan-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-(4-hydroxybutan-2-ylamino)hexanoic acid
CID 103262235
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
5-methoxy-2-(pentan-2-ylamino)pentanoic acid
CID 107886535
(2S)-2-(4,4-dimethylpentan-2-ylamino)hexanoic acid
CID 122044614
2-(6-methylhept-5-en-2-ylamino)hexanoic acid
CID 122039686
(2S)-2-(6-methylhept-5-en-2-ylamino)hexanoic acid
CID 122044862
2-(4-cyclopropylbutan-2-ylamino)hexanoic acid
CID 122039580
2-(1-propan-2-yloxypropan-2-ylamino)hexanoic acid
CID 122039513
2-(propan-2-ylamino)heptanoic acid
CID 43754297
(2S)-2-(heptadecan-2-ylamino)pentanedioic acid
CID 121284331
2-(1-phenylpropan-2-ylamino)hexanoic acid
CID 103250487
calcium;hydride;2-methylhexanoic acid
CID 173227921

Frequently Asked Questions

What is the IUPAC name of 2-(pentan-2-ylamino)hexanoic acid?
The IUPAC name of 2-(pentan-2-ylamino)hexanoic acid (CID 103231809) is 2-(pentan-2-ylamino)hexanoic acid.
What is the SMILES notation for 2-(pentan-2-ylamino)hexanoic acid?
The canonical SMILES for 2-(pentan-2-ylamino)hexanoic acid is CCCCC(NC(C)CCC)C(=O)O.
What is the InChIKey of 2-(pentan-2-ylamino)hexanoic acid?
The InChIKey is WKRMASCOZXJPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-6-8-10(11(13)14)12-9(3)7-5-2/h9-10,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(pentan-2-ylamino)hexanoic acid?
2-(pentan-2-ylamino)hexanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentan-2-ylamino)hexanoic acid is sourced from PubChem (CID 103231809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).