(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid

C11H12N2O4 — CID 124513224

IUPAC(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)c1ccncc1
InChIInChI=1S/C11H12N2O4/c14-10(8-1-3-12-4-2-8)13-5-6-17-7-9(13)11(15)16/h1-4,9H,5-7H2,(H,15,16)/t9-/m0/s1
InChIKeyUSNZDFICBNJWRG-VIFPVBQESA-N
MW236.23 g/mol
LogP0.01
Rot. Bonds2

About (3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid

(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid (PubChem CID 124513224) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is (3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
PubChem CID124513224
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)c1ccncc1
InChIInChI=1S/C11H12N2O4/c14-10(8-1-3-12-4-2-8)13-5-6-17-7-9(13)11(15)16/h1-4,9H,5-7H2,(H,15,16)/t9-/m0/s1
InChIKeyUSNZDFICBNJWRG-VIFPVBQESA-N
XLogP0.01
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 114036870
4-[4-(1,2,4-triazol-1-yl)benzoyl]morpholine-3-carboxylic acid
CID 122146530
4-(3-bromopyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 120521701
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528
4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 66462467
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870
4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid
CID 119216482
(3S)-4-[4-(2-oxoimidazolidin-1-yl)benzoyl]morpholine-3-carboxylic acid
CID 125133029
4-[4-(pyrazol-1-ylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 119216021
(3R)-4-[4-(methylsulfanylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513267

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid (CID 124513224) is (3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid is O=C(O)[C@@H]1COCCN1C(=O)c1ccncc1.
What is the InChIKey of (3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is USNZDFICBNJWRG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N2O4/c14-10(8-1-3-12-4-2-8)13-5-6-17-7-9(13)11(15)16/h1-4,9H,5-7H2,(H,15,16)/t9-/m0/s1.
What are the key properties of (3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid?
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 124513224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).