3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid

C11H24N4O2 — CID 18731814

IUPAC3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid
SMILESO=C(O)CCC1CNCCNCCNCCN1
InChIInChI=1S/C11H24N4O2/c16-11(17)2-1-10-9-14-6-5-12-3-4-13-7-8-15-10/h10,12-15H,1-9H2,(H,16,17)
InChIKeyZAEIZJDMNLAFTF-UHFFFAOYSA-N
MW244.34 g/mol
LogP-1.41
Rot. Bonds3

About 3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid

3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid (PubChem CID 18731814) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid
PubChem CID18731814
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid
SMILESO=C(O)CCC1CNCCNCCNCCN1
InChIInChI=1S/C11H24N4O2/c16-11(17)2-1-10-9-14-6-5-12-3-4-13-7-8-15-10/h10,12-15H,1-9H2,(H,16,17)
InChIKeyZAEIZJDMNLAFTF-UHFFFAOYSA-N
XLogP-1.41
TPSA85.42 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-1.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid?
The IUPAC name of 3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid (CID 18731814) is 3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid.
What is the SMILES notation for 3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid?
The canonical SMILES for 3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid is O=C(O)CCC1CNCCNCCNCCN1.
What is the InChIKey of 3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid?
The InChIKey is ZAEIZJDMNLAFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c16-11(17)2-1-10-9-14-6-5-12-3-4-13-7-8-15-10/h10,12-15H,1-9H2,(H,16,17).
What are the key properties of 3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid?
3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid has a molecular weight of 244.34 g/mol, XLogP of -1.41, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,7,10-tetrazacyclododec-2-yl)propanoic acid is sourced from PubChem (CID 18731814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).