(2S)-2-aminohexanedioate

C6H9NO4-2 — CID 5460399

IUPAC(2S)-2-aminohexanedioate
SMILESN[C@@H](CCCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/p-2/t4-/m0/s1
InChIKeyOYIFNHCXNCRBQI-BYPYZUCNSA-L
MW159.14 g/mol
LogP-3.02
Rot. Bonds5

About (2S)-2-aminohexanedioate

(2S)-2-aminohexanedioate (PubChem CID 5460399) has the molecular formula C6H9NO4-2 and a molecular weight of 159.14 g/mol. Its IUPAC name is (2S)-2-aminohexanedioate.

Molecular Properties

Compound Name(2S)-2-aminohexanedioate
PubChem CID5460399
Molecular FormulaC6H9NO4-2
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(2S)-2-aminohexanedioate
SMILESN[C@@H](CCCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/p-2/t4-/m0/s1
InChIKeyOYIFNHCXNCRBQI-BYPYZUCNSA-L
XLogP-3.02
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-3.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

calcium (2S)-2-aminohexanedioate
CID 141363631
tris((2S)-2-aminopentanedioate);bis(cerium(3+))
CID 160944724
(2S)-2-aminopentanedioate;cadmium(2+)
CID 159859619
diazanium;2-aminopentanedioate
CID 22497325
copper (2S)-2-aminopentanedioate
CID 87093217
(2S)-2-aminopentanedioate;nickel(2+)
CID 87532151
(2S)-2-aminopentanedioate;manganese(2+)
CID 10442757
strontium;(2R)-2-aminopentanedioate;hydrate
CID 141288425
strontium;(2S)-2-aminopentanedioate;pentahydrate
CID 172813696
calcium;bis((2S)-2-aminopentanedioate);hydride
CID 139033629
tetrasodium;2-aminopentanedioate;oxalate
CID 175012253
tetrasodium;2-aminopentanedioate;diacetate
CID 18668480

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminohexanedioate?
The IUPAC name of (2S)-2-aminohexanedioate (CID 5460399) is (2S)-2-aminohexanedioate.
What is the SMILES notation for (2S)-2-aminohexanedioate?
The canonical SMILES for (2S)-2-aminohexanedioate is N[C@@H](CCCC(=O)[O-])C(=O)[O-].
What is the InChIKey of (2S)-2-aminohexanedioate?
The InChIKey is OYIFNHCXNCRBQI-BYPYZUCNSA-L. The full InChI is InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/p-2/t4-/m0/s1.
What are the key properties of (2S)-2-aminohexanedioate?
(2S)-2-aminohexanedioate has a molecular weight of 159.14 g/mol, XLogP of -3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminohexanedioate is sourced from PubChem (CID 5460399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).