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

C11H22N2O4 — CID 1121708

IUPAC(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1CCOCCOCCOCC1
InChIInChI=1S/C11H22N2O4/c1-10(12)11(14)13-2-4-15-6-8-17-9-7-16-5-3-13/h10H,2-9,12H2,1H3/t10-/m1/s1
InChIKeyRDRHTDLXBYOQQM-SNVBAGLBSA-N
MW246.31 g/mol
LogP-0.77
Rot. Bonds1

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

(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one (PubChem CID 1121708) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
PubChem CID1121708
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1CCOCCOCCOCC1
InChIInChI=1S/C11H22N2O4/c1-10(12)11(14)13-2-4-15-6-8-17-9-7-16-5-3-13/h10H,2-9,12H2,1H3/t10-/m1/s1
InChIKeyRDRHTDLXBYOQQM-SNVBAGLBSA-N
XLogP-0.77
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
(2R)-2-amino-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
CID 129371509
(2R)-2-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840052
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454
(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484456
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119277058
(2R)-2-amino-1-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 119899591
2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 21025679
2-amino-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
CID 122238852

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one (CID 1121708) is (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one is C[C@@H](N)C(=O)N1CCOCCOCCOCC1.
What is the InChIKey of (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one?
The InChIKey is RDRHTDLXBYOQQM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-10(12)11(14)13-2-4-15-6-8-17-9-7-16-5-3-13/h10H,2-9,12H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one?
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one has a molecular weight of 246.31 g/mol, XLogP of -0.77, 1 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)propan-1-one is sourced from PubChem (CID 1121708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).