2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one

C11H19NO4 — CID 90356921

IUPAC2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one
SMILESO=C1NCCOC1(CC1CC1)C[C@@H](O)CO
InChIInChI=1S/C11H19NO4/c13-7-9(14)6-11(5-8-1-2-8)10(15)12-3-4-16-11/h8-9,13-14H,1-7H2,(H,12,15)/t9-,11?/m1/s1
InChIKeyROBHTDKDKYAYIV-BFHBGLAWSA-N
MW229.28 g/mol
LogP-0.58
Rot. Bonds5

About 2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one

2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one (PubChem CID 90356921) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one
PubChem CID90356921
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one
SMILESO=C1NCCOC1(CC1CC1)C[C@@H](O)CO
InChIInChI=1S/C11H19NO4/c13-7-9(14)6-11(5-8-1-2-8)10(15)12-3-4-16-11/h8-9,13-14H,1-7H2,(H,12,15)/t9-,11?/m1/s1
InChIKeyROBHTDKDKYAYIV-BFHBGLAWSA-N
XLogP-0.58
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one (CID 90356921) is 2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one is O=C1NCCOC1(CC1CC1)C[C@@H](O)CO.
What is the InChIKey of 2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one?
The InChIKey is ROBHTDKDKYAYIV-BFHBGLAWSA-N. The full InChI is InChI=1S/C11H19NO4/c13-7-9(14)6-11(5-8-1-2-8)10(15)12-3-4-16-11/h8-9,13-14H,1-7H2,(H,12,15)/t9-,11?/m1/s1.
What are the key properties of 2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one?
2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one has a molecular weight of 229.28 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-2-[(2R)-2,3-dihydroxypropyl]morpholin-3-one is sourced from PubChem (CID 90356921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).