3-(2-aminoethyl)hexanedioic acid

C8H15NO4 — CID 141064631

IUPAC3-(2-aminoethyl)hexanedioic acid
SMILESNCCC(CCC(=O)O)CC(=O)O
InChIInChI=1S/C8H15NO4/c9-4-3-6(5-8(12)13)1-2-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)
InChIKeyNUEGXZYENUOYEU-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.29
Rot. Bonds7

About 3-(2-aminoethyl)hexanedioic acid

3-(2-aminoethyl)hexanedioic acid (PubChem CID 141064631) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-(2-aminoethyl)hexanedioic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)hexanedioic acid
PubChem CID141064631
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-(2-aminoethyl)hexanedioic acid
SMILESNCCC(CCC(=O)O)CC(=O)O
InChIInChI=1S/C8H15NO4/c9-4-3-6(5-8(12)13)1-2-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)
InChIKeyNUEGXZYENUOYEU-UHFFFAOYSA-N
XLogP0.29
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-diaminoethyl)hexanedioic acid
CID 91120967
3-ethylhexanedioic acid
CID 18477236
3-(2-methylpropyl)hexanedioic acid
CID 141433845
6-amino-4-carbamoylhexanoic acid
CID 87906467
azane;3,5-diaminopentanoic acid
CID 173202896
4,9-diaminononanoic acid
CID 88791042
(3R)-5-amino-3-(3-methylbutoxymethyl)pentanoic acid
CID 125451960
3-(3-aminopropyl)decanoic acid
CID 21259292
5-sulfanyl-4-(sulfanylmethyl)pentanoic acid
CID 57279279
3,4-bis(carboxymethyl)heptanedioic acid
CID 139673912
3-(15N)azanyl(113C)propanoic acid
CID 11366951
3-(dimethoxyphosphorylmethyl)hexanedioic acid
CID 139636448

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)hexanedioic acid?
The IUPAC name of 3-(2-aminoethyl)hexanedioic acid (CID 141064631) is 3-(2-aminoethyl)hexanedioic acid.
What is the SMILES notation for 3-(2-aminoethyl)hexanedioic acid?
The canonical SMILES for 3-(2-aminoethyl)hexanedioic acid is NCCC(CCC(=O)O)CC(=O)O.
What is the InChIKey of 3-(2-aminoethyl)hexanedioic acid?
The InChIKey is NUEGXZYENUOYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c9-4-3-6(5-8(12)13)1-2-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13).
What are the key properties of 3-(2-aminoethyl)hexanedioic acid?
3-(2-aminoethyl)hexanedioic acid has a molecular weight of 189.21 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)hexanedioic acid is sourced from PubChem (CID 141064631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).