(2-amino-3-morpholin-4-yl-3-oxopropyl) acetate

C9H16N2O4 — CID 11436688

IUPAC(2-amino-3-morpholin-4-yl-3-oxopropyl) acetate
SMILESCC(=O)OCC(N)C(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O4/c1-7(12)15-6-8(10)9(13)11-2-4-14-5-3-11/h8H,2-6,10H2,1H3
InChIKeyLWVXQYDNGJRGEN-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.26
Rot. Bonds3

About (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate

(2-amino-3-morpholin-4-yl-3-oxopropyl) acetate (PubChem CID 11436688) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate.

Molecular Properties

Compound Name(2-amino-3-morpholin-4-yl-3-oxopropyl) acetate
PubChem CID11436688
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2-amino-3-morpholin-4-yl-3-oxopropyl) acetate
SMILESCC(=O)OCC(N)C(=O)N1CCOCC1
InChIInChI=1S/C9H16N2O4/c1-7(12)15-6-8(10)9(13)11-2-4-14-5-3-11/h8H,2-6,10H2,1H3
InChIKeyLWVXQYDNGJRGEN-UHFFFAOYSA-N
XLogP-1.26
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
2-amino-5-methoxy-1-morpholin-4-ylpentan-1-one
CID 81082290
(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 54322087
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 94907338
tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate
CID 59641605
(1-acetyloxy-3-carboxyoxypropan-2-yl) 2-morpholin-4-ylacetate
CID 70793772
(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
(3S)-3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid
CID 58619493
3-acetyloxy-4-morpholin-4-yl-4-oxobutanoic acid
CID 22054018

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate?
The IUPAC name of (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate (CID 11436688) is (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate.
What is the SMILES notation for (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate?
The canonical SMILES for (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate is CC(=O)OCC(N)C(=O)N1CCOCC1.
What is the InChIKey of (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate?
The InChIKey is LWVXQYDNGJRGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-7(12)15-6-8(10)9(13)11-2-4-14-5-3-11/h8H,2-6,10H2,1H3.
What are the key properties of (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate?
(2-amino-3-morpholin-4-yl-3-oxopropyl) acetate has a molecular weight of 216.24 g/mol, XLogP of -1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate is sourced from PubChem (CID 11436688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).