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

C9H17ClN2O4 — CID 11436687

IUPAC(2-amino-3-morpholin-4-yl-3-oxopropyl) acetate;hydrochloride
SMILESCC(=O)OCC(N)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C9H16N2O4.ClH/c1-7(12)15-6-8(10)9(13)11-2-4-14-5-3-11;/h8H,2-6,10H2,1H3;1H
InChIKeyRLXXCOIRICDGHA-UHFFFAOYSA-N
MW252.70 g/mol
LogP-0.84
Rot. Bonds3

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

(2-amino-3-morpholin-4-yl-3-oxopropyl) acetate;hydrochloride (PubChem CID 11436687) has the molecular formula C9H17ClN2O4 and a molecular weight of 252.70 g/mol. Its IUPAC name is (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate;hydrochloride.

Molecular Properties

Compound Name(2-amino-3-morpholin-4-yl-3-oxopropyl) acetate;hydrochloride
PubChem CID11436687
Molecular FormulaC9H17ClN2O4
Molecular Weight252.70 g/mol
Exact Mass252.09
IUPAC Name(2-amino-3-morpholin-4-yl-3-oxopropyl) acetate;hydrochloride
SMILESCC(=O)OCC(N)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C9H16N2O4.ClH/c1-7(12)15-6-8(10)9(13)11-2-4-14-5-3-11;/h8H,2-6,10H2,1H3;1H
InChIKeyRLXXCOIRICDGHA-UHFFFAOYSA-N
XLogP-0.84
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate;hydrochloride?
The IUPAC name of (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate;hydrochloride (CID 11436687) is (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate;hydrochloride.
What is the SMILES notation for (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate;hydrochloride?
The canonical SMILES for (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate;hydrochloride is CC(=O)OCC(N)C(=O)N1CCOCC1.Cl.
What is the InChIKey of (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate;hydrochloride?
The InChIKey is RLXXCOIRICDGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4.ClH/c1-7(12)15-6-8(10)9(13)11-2-4-14-5-3-11;/h8H,2-6,10H2,1H3;1H.
What are the key properties of (2-amino-3-morpholin-4-yl-3-oxopropyl) acetate;hydrochloride?
(2-amino-3-morpholin-4-yl-3-oxopropyl) acetate;hydrochloride has a molecular weight of 252.70 g/mol, XLogP of -0.84, 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;hydrochloride is sourced from PubChem (CID 11436687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).