(3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid

C13H13N3O4 — CID 125133440

IUPAC(3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)c1ccc2nccn2c1
InChIInChI=1S/C13H13N3O4/c17-12(16-5-6-20-8-10(16)13(18)19)9-1-2-11-14-3-4-15(11)7-9/h1-4,7,10H,5-6,8H2,(H,18,19)/t10-/m0/s1
InChIKeyQCBLVSLYTFHKIX-JTQLQIEISA-N
MW275.26 g/mol
LogP0.26
Rot. Bonds2

About (3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid

(3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid (PubChem CID 125133440) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is (3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid
PubChem CID125133440
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name(3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)[C@@H]1COCCN1C(=O)c1ccc2nccn2c1
InChIInChI=1S/C13H13N3O4/c17-12(16-5-6-20-8-10(16)13(18)19)9-1-2-11-14-3-4-15(11)7-9/h1-4,7,10H,5-6,8H2,(H,18,19)/t10-/m0/s1
InChIKeyQCBLVSLYTFHKIX-JTQLQIEISA-N
XLogP0.26
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 66462467
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870
4-[4-(pyrazol-1-ylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 119216021
azepan-1-yl(imidazo[1,2-a]pyridin-6-yl)methanone
CID 110704027
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
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-(1,2,4-triazol-1-yl)benzoyl]morpholine-3-carboxylic acid
CID 122146530
(3R)-4-[4-(methylsulfanylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513267

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid (CID 125133440) is (3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid is O=C(O)[C@@H]1COCCN1C(=O)c1ccc2nccn2c1.
What is the InChIKey of (3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is QCBLVSLYTFHKIX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13N3O4/c17-12(16-5-6-20-8-10(16)13(18)19)9-1-2-11-14-3-4-15(11)7-9/h1-4,7,10H,5-6,8H2,(H,18,19)/t10-/m0/s1.
What are the key properties of (3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid?
(3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(imidazo[1,2-a]pyridine-6-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 125133440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).