(2S)-2-(5-aminohexanoylamino)hexanoic acid

C12H24N2O3 — CID 107146995

IUPAC(2S)-2-(5-aminohexanoylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)CCCC(C)N)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-4-7-10(12(16)17)14-11(15)8-5-6-9(2)13/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17)/t9?,10-/m0/s1
InChIKeyCAXFJEOOCMAFCU-AXDSSHIGSA-N
MW244.33 g/mol
LogP1.26
Rot. Bonds9

About (2S)-2-(5-aminohexanoylamino)hexanoic acid

(2S)-2-(5-aminohexanoylamino)hexanoic acid (PubChem CID 107146995) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S)-2-(5-aminohexanoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(5-aminohexanoylamino)hexanoic acid
PubChem CID107146995
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2S)-2-(5-aminohexanoylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)CCCC(C)N)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-4-7-10(12(16)17)14-11(15)8-5-6-9(2)13/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17)/t9?,10-/m0/s1
InChIKeyCAXFJEOOCMAFCU-AXDSSHIGSA-N
XLogP1.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(5-aminohexanoylamino)hexanedioic acid
CID 107835557
2-(5-aminohexanoylamino)butanoic acid
CID 82851641
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
(2S)-2-(3-aminopropanoylamino)hexanoic acid
CID 22212413
2-(7-methyloctanoylamino)hexanoic acid
CID 118160586
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
2-(5-aminohexanoylamino)pent-4-ynoic acid
CID 82853867
(2S)-5-amino-2-(decanoylamino)pentanoic acid
CID 54420497
2-(4-hydroxybutanoylamino)heptanoic acid
CID 170404241
5-(1-carboxybutylamino)-2-(icosanoylamino)-5-oxopentanoic acid
CID 58954563
(2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid
CID 57494721
4-hydroxy-2-(nonanoylamino)butanoic acid
CID 61242764

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-aminohexanoylamino)hexanoic acid?
The IUPAC name of (2S)-2-(5-aminohexanoylamino)hexanoic acid (CID 107146995) is (2S)-2-(5-aminohexanoylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(5-aminohexanoylamino)hexanoic acid?
The canonical SMILES for (2S)-2-(5-aminohexanoylamino)hexanoic acid is CCCC[C@H](NC(=O)CCCC(C)N)C(=O)O.
What is the InChIKey of (2S)-2-(5-aminohexanoylamino)hexanoic acid?
The InChIKey is CAXFJEOOCMAFCU-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-4-7-10(12(16)17)14-11(15)8-5-6-9(2)13/h9-10H,3-8,13H2,1-2H3,(H,14,15)(H,16,17)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-(5-aminohexanoylamino)hexanoic acid?
(2S)-2-(5-aminohexanoylamino)hexanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.26, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-aminohexanoylamino)hexanoic acid is sourced from PubChem (CID 107146995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).