(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one

C12H24N2O4 — CID 948942

IUPAC(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one
SMILESCC[C@@H](N)C(=O)N1CCOCCOCCOCC1
InChIInChI=1S/C12H24N2O4/c1-2-11(13)12(15)14-3-5-16-7-9-18-10-8-17-6-4-14/h11H,2-10,13H2,1H3/t11-/m1/s1
InChIKeyMDCSCJICYVAVIG-LLVKDONJSA-N
MW260.33 g/mol
LogP-0.38
Rot. Bonds2

About (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one

(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one (PubChem CID 948942) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one
PubChem CID948942
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one
SMILESCC[C@@H](N)C(=O)N1CCOCCOCCOCC1
InChIInChI=1S/C12H24N2O4/c1-2-11(13)12(15)14-3-5-16-7-9-18-10-8-17-6-4-14/h11H,2-10,13H2,1H3/t11-/m1/s1
InChIKeyMDCSCJICYVAVIG-LLVKDONJSA-N
XLogP-0.38
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one?
The IUPAC name of (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one (CID 948942) is (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one?
The canonical SMILES for (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one is CC[C@@H](N)C(=O)N1CCOCCOCCOCC1.
What is the InChIKey of (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one?
The InChIKey is MDCSCJICYVAVIG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-2-11(13)12(15)14-3-5-16-7-9-18-10-8-17-6-4-14/h11H,2-10,13H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one?
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one has a molecular weight of 260.33 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one is sourced from PubChem (CID 948942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).