2-aminohexanedioic acid

C6H11NO4 — CID 469

IUPAC2-aminohexanedioic acid
SMILESNC(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)
InChIKeyOYIFNHCXNCRBQI-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.35
Rot. Bonds5

About 2-aminohexanedioic acid

2-aminohexanedioic acid (PubChem CID 469) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-aminohexanedioic acid.

Molecular Properties

Compound Name2-aminohexanedioic acid
PubChem CID469
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-aminohexanedioic acid
SMILESNC(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)
InChIKeyOYIFNHCXNCRBQI-UHFFFAOYSA-N
XLogP-0.35
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

L-Lysine
CID 5962
L-(-)-Ornithine
CID 6262
L-2-Aminoadipic Acid
CID 92136
Caprine
CID 21236
Lysine, DL-
CID 866
D-Ornithine
CID 71082
L-Lysine monohydrochloride
CID 69568
D-Lysine
CID 57449
Allysine
CID 160603
Lysine hydrochloride, DL-
CID 12047
(S)-2-amino-6-boronohexanoic acid
CID 9793992
2-Aminopimelic acid
CID 101122

Frequently Asked Questions

What is the IUPAC name of 2-aminohexanedioic acid?
The IUPAC name of 2-aminohexanedioic acid (CID 469) is 2-aminohexanedioic acid.
What is the SMILES notation for 2-aminohexanedioic acid?
The canonical SMILES for 2-aminohexanedioic acid is NC(CCCC(=O)O)C(=O)O.
What is the InChIKey of 2-aminohexanedioic acid?
The InChIKey is OYIFNHCXNCRBQI-UHFFFAOYSA-N. 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).
What are the key properties of 2-aminohexanedioic acid?
2-aminohexanedioic acid has a molecular weight of 161.16 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminohexanedioic acid is sourced from PubChem (CID 469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).