phenyl 2-(hydroxymethyl)morpholine-4-carboxylate

C12H15NO4 — CID 81218922

IUPACphenyl 2-(hydroxymethyl)morpholine-4-carboxylate
SMILESO=C(Oc1ccccc1)N1CCOC(CO)C1
InChIInChI=1S/C12H15NO4/c14-9-11-8-13(6-7-16-11)12(15)17-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChIKeyVJPITXVECVIANA-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.88
Rot. Bonds2

About phenyl 2-(hydroxymethyl)morpholine-4-carboxylate

phenyl 2-(hydroxymethyl)morpholine-4-carboxylate (PubChem CID 81218922) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is phenyl 2-(hydroxymethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namephenyl 2-(hydroxymethyl)morpholine-4-carboxylate
PubChem CID81218922
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namephenyl 2-(hydroxymethyl)morpholine-4-carboxylate
SMILESO=C(Oc1ccccc1)N1CCOC(CO)C1
InChIInChI=1S/C12H15NO4/c14-9-11-8-13(6-7-16-11)12(15)17-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChIKeyVJPITXVECVIANA-UHFFFAOYSA-N
XLogP0.88
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid
CID 66435355
(2R)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203556
2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203547
2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide
CID 75476548
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide
CID 81209103
[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 81196589
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylmethoxypropan-1-one
CID 81208321
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 81209419
2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
CID 103429192

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(hydroxymethyl)morpholine-4-carboxylate?
The IUPAC name of phenyl 2-(hydroxymethyl)morpholine-4-carboxylate (CID 81218922) is phenyl 2-(hydroxymethyl)morpholine-4-carboxylate.
What is the SMILES notation for phenyl 2-(hydroxymethyl)morpholine-4-carboxylate?
The canonical SMILES for phenyl 2-(hydroxymethyl)morpholine-4-carboxylate is O=C(Oc1ccccc1)N1CCOC(CO)C1.
What is the InChIKey of phenyl 2-(hydroxymethyl)morpholine-4-carboxylate?
The InChIKey is VJPITXVECVIANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-9-11-8-13(6-7-16-11)12(15)17-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2.
What are the key properties of phenyl 2-(hydroxymethyl)morpholine-4-carboxylate?
phenyl 2-(hydroxymethyl)morpholine-4-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(hydroxymethyl)morpholine-4-carboxylate is sourced from PubChem (CID 81218922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).