(2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one

C13H26N2O4 — CID 767043

IUPAC(2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCOCCOCCOCC1
InChIInChI=1S/C13H26N2O4/c1-11(2)12(14)13(16)15-3-5-17-7-9-19-10-8-18-6-4-15/h11-12H,3-10,14H2,1-2H3/t12-/m1/s1
InChIKeyCVFYXCAXFRDKNY-GFCCVEGCSA-N
MW274.36 g/mol
LogP-0.14
Rot. Bonds2

About (2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one

(2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one (PubChem CID 767043) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one
PubChem CID767043
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name(2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CCOCCOCCOCC1
InChIInChI=1S/C13H26N2O4/c1-11(2)12(14)13(16)15-3-5-17-7-9-19-10-8-18-6-4-15/h11-12H,3-10,14H2,1-2H3/t12-/m1/s1
InChIKeyCVFYXCAXFRDKNY-GFCCVEGCSA-N
XLogP-0.14
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one?
The IUPAC name of (2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one (CID 767043) is (2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one.
What is the SMILES notation for (2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one?
The canonical SMILES for (2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one is CC(C)[C@@H](N)C(=O)N1CCOCCOCCOCC1.
What is the InChIKey of (2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one?
The InChIKey is CVFYXCAXFRDKNY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-11(2)12(14)13(16)15-3-5-17-7-9-19-10-8-18-6-4-15/h11-12H,3-10,14H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one?
(2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one has a molecular weight of 274.36 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-1-(1,4,7-trioxa-10-azacyclododec-10-yl)butan-1-one is sourced from PubChem (CID 767043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).