(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid

C15H20N2O5 — CID 24902608

IUPAC(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)O
InChIInChI=1S/C15H20N2O5/c1-15(2,3)22-14(20)17-9-11(7-12(17)13(18)19)21-10-5-4-6-16-8-10/h4-6,8,11-12H,7,9H2,1-3H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyUMPBUKZSGXBWQY-RYUDHWBXSA-N
MW308.33 g/mol
LogP1.92
Rot. Bonds3

About (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid

(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid (PubChem CID 24902608) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid
PubChem CID24902608
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)O
InChIInChI=1S/C15H20N2O5/c1-15(2,3)22-14(20)17-9-11(7-12(17)13(18)19)21-10-5-4-6-16-8-10/h4-6,8,11-12H,7,9H2,1-3H3,(H,18,19)/t11-,12-/m0/s1
InChIKeyUMPBUKZSGXBWQY-RYUDHWBXSA-N
XLogP1.92
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-(pyridin-2-yloxy)pyrrolidin-1-yl)ethanone
CID 44598903
1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-(pyridin-3-yloxy)pyrrolidin-1-yl)ethanone
CID 44598904
tert-butyl (4S)-2,2-dimethyl-4-(pyridin-3-yloxymethyl)-1,3-oxazolidine-3-carboxylate
CID 74223265
3-{[1-(Cyclopropylcarbonyl)pyrrolidin-3-yl]oxy}pyridine
CID 110196251
(2R4S)-NN-Diethyl-2-(morpholine-4-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-1-carboxamide
CID 110197006
(2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198982
N-Methyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
CID 86820400
3-{[1-(Oxane-4-carbonyl)pyrrolidin-3-YL]oxy}pyridine
CID 110196255
(2s,4s)-1-(Tert-butoxycarbonyl)-4-(pyridin-4-yloxy)pyrrolidine-2-carboxylic acid
CID 24902609
4-[4-(Pyridin-3-yloxy)pyrrolidine-2-carbonyl]morpholine
CID 86820399
[(2S,4S)-4-(3-pyridyloxy)tetrahydro-1H-pyrrol-2-yl](1-pyrrolidinyl)methanone
CID 86820402
N-Cyclopropyl-4-(pyridin-3-yloxy)pyrrolidine-2-carboxamide
CID 86820403

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid (CID 24902608) is (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid?
The InChIKey is UMPBUKZSGXBWQY-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-15(2,3)22-14(20)17-9-11(7-12(17)13(18)19)21-10-5-4-6-16-8-10/h4-6,8,11-12H,7,9H2,1-3H3,(H,18,19)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid has a molecular weight of 308.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24902608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).