2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid

C13H16N2O5 — CID 136536333

IUPAC2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
SMILESCOc1ccnc(C(=O)N2CCOC(CC(=O)O)C2)c1
InChIInChI=1S/C13H16N2O5/c1-19-9-2-3-14-11(6-9)13(18)15-4-5-20-10(8-15)7-12(16)17/h2-3,6,10H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyHDJKIAJJVNSSGX-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.41
Rot. Bonds4

About 2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid

2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 136536333) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
PubChem CID136536333
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
SMILESCOc1ccnc(C(=O)N2CCOC(CC(=O)O)C2)c1
InChIInChI=1S/C13H16N2O5/c1-19-9-2-3-14-11(6-9)13(18)15-4-5-20-10(8-15)7-12(16)17/h2-3,6,10H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyHDJKIAJJVNSSGX-UHFFFAOYSA-N
XLogP0.41
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-pyrazol-1-ylpyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 120527660
N-[(4-acetylmorpholin-2-yl)methyl]-4-methoxypyridine-2-carboxamide
CID 118785820
2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid
CID 120687891
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[(2S)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 129465784
2-[(2S)-4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]morpholin-2-yl]acetic acid
CID 125132212
2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 126789660
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 124515416
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421759
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248125

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid (CID 136536333) is 2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid is COc1ccnc(C(=O)N2CCOC(CC(=O)O)C2)c1.
What is the InChIKey of 2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is HDJKIAJJVNSSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-19-9-2-3-14-11(6-9)13(18)15-4-5-20-10(8-15)7-12(16)17/h2-3,6,10H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid?
2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 280.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 136536333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).