4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid

C10H13N3O3 — CID 62699016

IUPAC4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(Cc2ncccn2)CCO1
InChIInChI=1S/C10H13N3O3/c14-10(15)8-6-13(4-5-16-8)7-9-11-2-1-3-12-9/h1-3,8H,4-7H2,(H,14,15)
InChIKeyASGVZARVSCVZBZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.24
Rot. Bonds3

About 4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid

4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid (PubChem CID 62699016) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
PubChem CID62699016
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(Cc2ncccn2)CCO1
InChIInChI=1S/C10H13N3O3/c14-10(15)8-6-13(4-5-16-8)7-9-11-2-1-3-12-9/h1-3,8H,4-7H2,(H,14,15)
InChIKeyASGVZARVSCVZBZ-UHFFFAOYSA-N
XLogP-0.24
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid
CID 66411236
(2S)-4-[(3-pyridin-2-ylphenyl)methyl]morpholine-2-carboxylic acid
CID 95866693
(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid
CID 51441031
(2S)-4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]morpholine-2-carboxylic acid
CID 125438870
(2S)-4-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
CID 95894538
4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 63985912
4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 102877444
4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
CID 131909517
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxylic acid
CID 115351310
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
4-[(2-methylquinolin-6-yl)methyl]morpholine-2-carboxylic acid
CID 105379675

Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid (CID 62699016) is 4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid is O=C(O)C1CN(Cc2ncccn2)CCO1.
What is the InChIKey of 4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid?
The InChIKey is ASGVZARVSCVZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-10(15)8-6-13(4-5-16-8)7-9-11-2-1-3-12-9/h1-3,8H,4-7H2,(H,14,15).
What are the key properties of 4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid?
4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 62699016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).