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

C10H22N4O2 — CID 15774971

IUPAC2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid
SMILESO=C(O)CN1CCNCCNCCNCC1
InChIInChI=1S/C10H22N4O2/c15-10(16)9-14-7-5-12-3-1-11-2-4-13-6-8-14/h11-13H,1-9H2,(H,15,16)
InChIKeyXDLOGHYCUQYEKA-UHFFFAOYSA-N
MW230.31 g/mol
LogP-1.84
Rot. Bonds2

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

2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid (PubChem CID 15774971) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid
PubChem CID15774971
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid
SMILESO=C(O)CN1CCNCCNCCNCC1
InChIInChI=1S/C10H22N4O2/c15-10(16)9-14-7-5-12-3-1-11-2-4-13-6-8-14/h11-13H,1-9H2,(H,15,16)
InChIKeyXDLOGHYCUQYEKA-UHFFFAOYSA-N
XLogP-1.84
TPSA76.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid?
The IUPAC name of 2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid (CID 15774971) is 2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid.
What is the SMILES notation for 2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid?
The canonical SMILES for 2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid is O=C(O)CN1CCNCCNCCNCC1.
What is the InChIKey of 2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid?
The InChIKey is XDLOGHYCUQYEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c15-10(16)9-14-7-5-12-3-1-11-2-4-13-6-8-14/h11-13H,1-9H2,(H,15,16).
What are the key properties of 2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid?
2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid has a molecular weight of 230.31 g/mol, XLogP of -1.84, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,7,10-tetrazacyclododec-1-yl)acetic acid is sourced from PubChem (CID 15774971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).