cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid

C14H24N2O6 — CID 135385046

IUPACcyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid
SMILESNCCCCC(N)C(=O)O.O=C(O)C1=C(C(=O)O)CCCC1
InChIInChI=1S/C8H10O4.C6H14N2O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;7-4-2-1-3-5(8)6(9)10/h1-4H2,(H,9,10)(H,11,12);5H,1-4,7-8H2,(H,9,10)
InChIKeyRNRIPJWXTMRVFU-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.55
Rot. Bonds7

About cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid

cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid (PubChem CID 135385046) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid.

Molecular Properties

Compound Namecyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid
PubChem CID135385046
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Namecyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid
SMILESNCCCCC(N)C(=O)O.O=C(O)C1=C(C(=O)O)CCCC1
InChIInChI=1S/C8H10O4.C6H14N2O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;7-4-2-1-3-5(8)6(9)10/h1-4H2,(H,9,10)(H,11,12);5H,1-4,7-8H2,(H,9,10)
InChIKeyRNRIPJWXTMRVFU-UHFFFAOYSA-N
XLogP0.55
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,13-diaminotridecanoic acid
CID 141414897
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
sodium 2,6-diaminohexanoic acid
CID 18320454
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206
(2S)-2,6-diaminohexanoic acid;gold
CID 174858889

Frequently Asked Questions

What is the IUPAC name of cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid?
The IUPAC name of cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid (CID 135385046) is cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid.
What is the SMILES notation for cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid?
The canonical SMILES for cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid is NCCCCC(N)C(=O)O.O=C(O)C1=C(C(=O)O)CCCC1.
What is the InChIKey of cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid?
The InChIKey is RNRIPJWXTMRVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4.C6H14N2O2/c9-7(10)5-3-1-2-4-6(5)8(11)12;7-4-2-1-3-5(8)6(9)10/h1-4H2,(H,9,10)(H,11,12);5H,1-4,7-8H2,(H,9,10).
What are the key properties of cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid?
cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid has a molecular weight of 316.35 g/mol, XLogP of 0.55, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene-1,2-dicarboxylic acid;2,6-diaminohexanoic acid is sourced from PubChem (CID 135385046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).