2,6-diaminoheptanedioic acid

C7H14N2O4 — CID 865

IUPAC2,6-diaminoheptanedioic acid
SMILESNC(CCCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
InChIKeyGMKMEZVLHJARHF-UHFFFAOYSA-N
MW190.20 g/mol
LogP-1.02
Rot. Bonds6

About 2,6-diaminoheptanedioic acid

2,6-diaminoheptanedioic acid (PubChem CID 865) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2,6-diaminoheptanedioic acid.

Molecular Properties

Compound Name2,6-diaminoheptanedioic acid
PubChem CID865
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name2,6-diaminoheptanedioic acid
SMILESNC(CCCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
InChIKeyGMKMEZVLHJARHF-UHFFFAOYSA-N
XLogP-1.02
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-7-sulfanylheptanoic acid
CID 56957911
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
zinc 2,5-diaminopentanoic acid
CID 56838280
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
2,10,10-triaminodecanoic acid
CID 141091504
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483

Frequently Asked Questions

What is the IUPAC name of 2,6-diaminoheptanedioic acid?
The IUPAC name of 2,6-diaminoheptanedioic acid (CID 865) is 2,6-diaminoheptanedioic acid.
What is the SMILES notation for 2,6-diaminoheptanedioic acid?
The canonical SMILES for 2,6-diaminoheptanedioic acid is NC(CCCC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2,6-diaminoheptanedioic acid?
The InChIKey is GMKMEZVLHJARHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13).
What are the key properties of 2,6-diaminoheptanedioic acid?
2,6-diaminoheptanedioic acid has a molecular weight of 190.20 g/mol, XLogP of -1.02, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaminoheptanedioic acid is sourced from PubChem (CID 865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).