2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid

C12H14N2O5 — CID 114040095

IUPAC2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H14N2O5/c15-10-3-1-2-9(13-10)12(18)14-4-5-19-7-8(14)6-11(16)17/h1-3,8H,4-7H2,(H,13,15)(H,16,17)
InChIKeyDMMRFEGQKVFMNI-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.31
Rot. Bonds3

About 2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid

2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid (PubChem CID 114040095) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid
PubChem CID114040095
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H14N2O5/c15-10-3-1-2-9(13-10)12(18)14-4-5-19-7-8(14)6-11(16)17/h1-3,8H,4-7H2,(H,13,15)(H,16,17)
InChIKeyDMMRFEGQKVFMNI-UHFFFAOYSA-N
XLogP-0.31
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107262017
2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 95711057
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid
CID 81266026
2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
CID 107981509
2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid
CID 129469777
2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107721744
2-[(3R)-4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholin-3-yl]acetic acid
CID 129469902
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid
CID 129469768

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid (CID 114040095) is 2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid is O=C(O)CC1COCCN1C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of 2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid?
The InChIKey is DMMRFEGQKVFMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c15-10-3-1-2-9(13-10)12(18)14-4-5-19-7-8(14)6-11(16)17/h1-3,8H,4-7H2,(H,13,15)(H,16,17).
What are the key properties of 2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid?
2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid has a molecular weight of 266.25 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 114040095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).