2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid

C12H22N2O6 — CID 71413613

IUPAC2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid
SMILESO=C(O)CN1CCOCCN(CC(=O)O)CCOCC1
InChIInChI=1S/C12H22N2O6/c15-11(16)9-13-1-5-19-7-3-14(10-12(17)18)4-8-20-6-2-13/h1-10H2,(H,15,16)(H,17,18)
InChIKeyABTQGSUSLWDPQC-UHFFFAOYSA-N
MW290.32 g/mol
LogP-1.19
Rot. Bonds4

About 2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid

2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid (PubChem CID 71413613) has the molecular formula C12H22N2O6 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid.

Molecular Properties

Compound Name2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid
PubChem CID71413613
Molecular FormulaC12H22N2O6
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Name2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid
SMILESO=C(O)CN1CCOCCN(CC(=O)O)CCOCC1
InChIInChI=1S/C12H22N2O6/c15-11(16)9-13-1-5-19-7-3-14(10-12(17)18)4-8-20-6-2-13/h1-10H2,(H,15,16)(H,17,18)
InChIKeyABTQGSUSLWDPQC-UHFFFAOYSA-N
XLogP-1.19
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid?
The IUPAC name of 2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid (CID 71413613) is 2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid.
What is the SMILES notation for 2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid?
The canonical SMILES for 2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid is O=C(O)CN1CCOCCN(CC(=O)O)CCOCC1.
What is the InChIKey of 2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid?
The InChIKey is ABTQGSUSLWDPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O6/c15-11(16)9-13-1-5-19-7-3-14(10-12(17)18)4-8-20-6-2-13/h1-10H2,(H,15,16)(H,17,18).
What are the key properties of 2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid?
2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of -1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(carboxymethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]acetic acid is sourced from PubChem (CID 71413613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).