2-(1,5-diazocan-1-yl)acetic acid

C8H16N2O2 — CID 20839708

IUPAC2-(1,5-diazocan-1-yl)acetic acid
SMILESO=C(O)CN1CCCNCCC1
InChIInChI=1S/C8H16N2O2/c11-8(12)7-10-5-1-3-9-4-2-6-10/h9H,1-7H2,(H,11,12)
InChIKeyKZLODHIQESEDHG-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.24
Rot. Bonds2

About 2-(1,5-diazocan-1-yl)acetic acid

2-(1,5-diazocan-1-yl)acetic acid (PubChem CID 20839708) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(1,5-diazocan-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1,5-diazocan-1-yl)acetic acid
PubChem CID20839708
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(1,5-diazocan-1-yl)acetic acid
SMILESO=C(O)CN1CCCNCCC1
InChIInChI=1S/C8H16N2O2/c11-8(12)7-10-5-1-3-9-4-2-6-10/h9H,1-7H2,(H,11,12)
InChIKeyKZLODHIQESEDHG-UHFFFAOYSA-N
XLogP-0.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 11036131
2-[8-(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 170568662
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;dihydrochloride
CID 154804834
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190
2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
CID 4776245
ethane;2-piperazin-1-ylacetic acid
CID 143723779
trisodium;2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;hydride
CID 174236195
2-[11-(carboxymethyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-4-yl]acetic acid;tetrahydrochloride
CID 15490221
2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]acetic acid
CID 62838348
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
2-[4-(carboxymethyl)-7-(2,2-dihydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 166881958

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-diazocan-1-yl)acetic acid?
The IUPAC name of 2-(1,5-diazocan-1-yl)acetic acid (CID 20839708) is 2-(1,5-diazocan-1-yl)acetic acid.
What is the SMILES notation for 2-(1,5-diazocan-1-yl)acetic acid?
The canonical SMILES for 2-(1,5-diazocan-1-yl)acetic acid is O=C(O)CN1CCCNCCC1.
What is the InChIKey of 2-(1,5-diazocan-1-yl)acetic acid?
The InChIKey is KZLODHIQESEDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c11-8(12)7-10-5-1-3-9-4-2-6-10/h9H,1-7H2,(H,11,12).
What are the key properties of 2-(1,5-diazocan-1-yl)acetic acid?
2-(1,5-diazocan-1-yl)acetic acid has a molecular weight of 172.23 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-diazocan-1-yl)acetic acid is sourced from PubChem (CID 20839708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).