(2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C15H20N2O4 — CID 154865526

IUPAC(2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)Oc1cncc(C(=O)N2[C@@H](C)CC[C@H]2C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-9(2)21-12-6-11(7-16-8-12)14(18)17-10(3)4-5-13(17)15(19)20/h6-10,13H,4-5H2,1-3H3,(H,19,20)/t10-,13-/m0/s1
InChIKeyOGCFYYFMPRDOOZ-GWCFXTLKSA-N
MW292.34 g/mol
LogP1.95
Rot. Bonds4

About (2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 154865526) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID154865526
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name(2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)Oc1cncc(C(=O)N2[C@@H](C)CC[C@H]2C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-9(2)21-12-6-11(7-16-8-12)14(18)17-10(3)4-5-13(17)15(19)20/h6-10,13H,4-5H2,1-3H3,(H,19,20)/t10-,13-/m0/s1
InChIKeyOGCFYYFMPRDOOZ-GWCFXTLKSA-N
XLogP1.95
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylcyclopentyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 107187372
morpholin-4-yl-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 53013984
(3-methyloxan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 114241870
2-piperidin-4-yl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 116559903
(7-tert-butyl-1,4-oxazepan-4-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 138009746
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
1-(3-bromo-5-propan-2-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122113418
1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone
CID 116560870
(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 78922398
4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 105124809
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885
1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
CID 115794638

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 154865526) is (2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is CC(C)Oc1cncc(C(=O)N2[C@@H](C)CC[C@H]2C(=O)O)c1.
What is the InChIKey of (2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OGCFYYFMPRDOOZ-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9(2)21-12-6-11(7-16-8-12)14(18)17-10(3)4-5-13(17)15(19)20/h6-10,13H,4-5H2,1-3H3,(H,19,20)/t10-,13-/m0/s1.
What are the key properties of (2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-methyl-1-(5-propan-2-yloxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 154865526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).