2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid

C12H13ClN2O4 — CID 124515416

IUPAC2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)CCO1
InChIInChI=1S/C12H13ClN2O4/c13-8-1-2-10(14-6-8)12(18)15-3-4-19-9(7-15)5-11(16)17/h1-2,6,9H,3-5,7H2,(H,16,17)/t9-/m1/s1
InChIKeySFBRUTHNMJYCKO-SECBINFHSA-N
MW284.70 g/mol
LogP1.05
Rot. Bonds3

About 2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid

2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 124515416) has the molecular formula C12H13ClN2O4 and a molecular weight of 284.70 g/mol. Its IUPAC name is 2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid
PubChem CID124515416
Molecular FormulaC12H13ClN2O4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC Name2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)CCO1
InChIInChI=1S/C12H13ClN2O4/c13-8-1-2-10(14-6-8)12(18)15-3-4-19-9(7-15)5-11(16)17/h1-2,6,9H,3-5,7H2,(H,16,17)/t9-/m1/s1
InChIKeySFBRUTHNMJYCKO-SECBINFHSA-N
XLogP1.05
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-(trifluoromethyl)pyridine-2-carbonyl]morpholin-2-yl]acetic acid
CID 120527605
2-[4-(6-chloropyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420959
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[(2R)-4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 124705038
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 136536333
2-[4-(5-chloro-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 119247536
2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 124702711
2-[4-(3-hydroxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421765
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
(5-amino-2-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 81317078
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid (CID 124515416) is 2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)CCO1.
What is the InChIKey of 2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is SFBRUTHNMJYCKO-SECBINFHSA-N. The full InChI is InChI=1S/C12H13ClN2O4/c13-8-1-2-10(14-6-8)12(18)15-3-4-19-9(7-15)5-11(16)17/h1-2,6,9H,3-5,7H2,(H,16,17)/t9-/m1/s1.
What are the key properties of 2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid?
2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 284.70 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(5-chloropyridine-2-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 124515416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).