4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid

C11H15N3O3 — CID 82389048

IUPAC4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid
SMILESCc1cncc(CN2CCOCC2C(=O)O)n1
InChIInChI=1S/C11H15N3O3/c1-8-4-12-5-9(13-8)6-14-2-3-17-7-10(14)11(15)16/h4-5,10H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyNAKLAMROXNOXIV-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.07
Rot. Bonds3

About 4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid

4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid (PubChem CID 82389048) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid
PubChem CID82389048
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid
SMILESCc1cncc(CN2CCOCC2C(=O)O)n1
InChIInChI=1S/C11H15N3O3/c1-8-4-12-5-9(13-8)6-14-2-3-17-7-10(14)11(15)16/h4-5,10H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyNAKLAMROXNOXIV-UHFFFAOYSA-N
XLogP0.07
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-methyl-2-pyridinyl)methyl]morpholine-3-carboxylic acid
CID 81320292
4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid
CID 130569431
4-[(4-chloro-2-methylphenyl)methyl]morpholine-3-carboxylic acid
CID 114076020
4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine-3-carboxylic acid
CID 103004849
(3R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxylic acid
CID 91840072
4-[(4-cyano-3-methoxyphenyl)methyl]morpholine-3-carboxylic acid
CID 106792559
2-(6-methylpyrazin-2-yl)acetic acid
CID 82594952
methyl 4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]morpholine-3-carboxylate
CID 115670474
(3aR,6S,7aR)-N,N-dimethyl-4-[(6-methylpyrazin-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 131682352
4-(6-methoxycarbonylpyrazin-2-yl)morpholine-3-carboxylic acid
CID 66455443
4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid
CID 120521790
4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid
CID 113439193

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid (CID 82389048) is 4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid is Cc1cncc(CN2CCOCC2C(=O)O)n1.
What is the InChIKey of 4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid?
The InChIKey is NAKLAMROXNOXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-4-12-5-9(13-8)6-14-2-3-17-7-10(14)11(15)16/h4-5,10H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid?
4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylpyrazin-2-yl)methyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 82389048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).