2,2-bis(3-aminopropyl)hexanedioic acid

C12H24N2O4 — CID 88846821

IUPAC2,2-bis(3-aminopropyl)hexanedioic acid
SMILESNCCCC(CCCN)(CCCC(=O)O)C(=O)O
InChIInChI=1S/C12H24N2O4/c13-8-2-6-12(11(17)18,7-3-9-14)5-1-4-10(15)16/h1-9,13-14H2,(H,15,16)(H,17,18)
InChIKeyAHYTXVVFJKDSSC-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.79
Rot. Bonds11

About 2,2-bis(3-aminopropyl)hexanedioic acid

2,2-bis(3-aminopropyl)hexanedioic acid (PubChem CID 88846821) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2,2-bis(3-aminopropyl)hexanedioic acid.

Molecular Properties

Compound Name2,2-bis(3-aminopropyl)hexanedioic acid
PubChem CID88846821
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2,2-bis(3-aminopropyl)hexanedioic acid
SMILESNCCCC(CCCN)(CCCC(=O)O)C(=O)O
InChIInChI=1S/C12H24N2O4/c13-8-2-6-12(11(17)18,7-3-9-14)5-1-4-10(15)16/h1-9,13-14H2,(H,15,16)(H,17,18)
InChIKeyAHYTXVVFJKDSSC-UHFFFAOYSA-N
XLogP0.79
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-bis(4-sulfanylbutyl)hexanedioic acid
CID 20559940
2,2-dipentylhexanedioic acid
CID 87342784
2,2-bis(10-sulfanyldecyl)hexanedioic acid
CID 20559919
4-aminobutanoic acid;dihydrochloride
CID 87111723
2,2-bis(2-hydroxyethyl)tridecanedioic acid
CID 87535723
2,2-bis(10-methylundecyl)hexanedioic acid
CID 88541306
2,2-bis(6-methylheptyl)hexanedioic acid
CID 18785345
2,2-dioctylnonanedioic acid
CID 19037211
2,2-di(tridecyl)dodecanedioic acid
CID 88920824
2,2-di(docosyl)nonanedioic acid
CID 88541334
2,2-didecylheptanedioic acid
CID 123371306
potassium;4-aminobutanoic acid;hydride
CID 173078667

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3-aminopropyl)hexanedioic acid?
The IUPAC name of 2,2-bis(3-aminopropyl)hexanedioic acid (CID 88846821) is 2,2-bis(3-aminopropyl)hexanedioic acid.
What is the SMILES notation for 2,2-bis(3-aminopropyl)hexanedioic acid?
The canonical SMILES for 2,2-bis(3-aminopropyl)hexanedioic acid is NCCCC(CCCN)(CCCC(=O)O)C(=O)O.
What is the InChIKey of 2,2-bis(3-aminopropyl)hexanedioic acid?
The InChIKey is AHYTXVVFJKDSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c13-8-2-6-12(11(17)18,7-3-9-14)5-1-4-10(15)16/h1-9,13-14H2,(H,15,16)(H,17,18).
What are the key properties of 2,2-bis(3-aminopropyl)hexanedioic acid?
2,2-bis(3-aminopropyl)hexanedioic acid has a molecular weight of 260.33 g/mol, XLogP of 0.79, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3-aminopropyl)hexanedioic acid is sourced from PubChem (CID 88846821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).