(2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid

C17H25N3O4 — CID 166772595

IUPAC(2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid
SMILESCc1cccnc1OCC(C)(C)NC(=O)C[C@H]1CCCN1C(=O)O
InChIInChI=1S/C17H25N3O4/c1-12-6-4-8-18-15(12)24-11-17(2,3)19-14(21)10-13-7-5-9-20(13)16(22)23/h4,6,8,13H,5,7,9-11H2,1-3H3,(H,19,21)(H,22,23)/t13-/m1/s1
InChIKeyPZWFTBXSKZYYLD-CYBMUJFWSA-N
MW335.40 g/mol
LogP2.20
Rot. Bonds6

About (2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid

(2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid (PubChem CID 166772595) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid
PubChem CID166772595
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name(2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid
SMILESCc1cccnc1OCC(C)(C)NC(=O)C[C@H]1CCCN1C(=O)O
InChIInChI=1S/C17H25N3O4/c1-12-6-4-8-18-15(12)24-11-17(2,3)19-14(21)10-13-7-5-9-20(13)16(22)23/h4,6,8,13H,5,7,9-11H2,1-3H3,(H,19,21)(H,22,23)/t13-/m1/s1
InChIKeyPZWFTBXSKZYYLD-CYBMUJFWSA-N
XLogP2.20
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
CID 166072035
N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 175839939
2-[(2R)-1-cyclopropylpyrrolidin-2-yl]-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]acetamide
CID 166072132
tert-butyl 2-[(3-methyl-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 156848237
2-(1,5-dimethylpyrrolidin-2-yl)-N-[2-methoxy-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]acetamide
CID 168742136
2-[1-[(3-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 63309541
2,2-difluoro-N-(1-methylpiperidin-4-yl)-3-[(3-methyl-2-pyridinyl)oxy]propanamide
CID 153338973
1-(2,2-dimethylpropanoyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55614007
(2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 107147142
tert-butyl 2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 106637826
2-(hydroxymethyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111428254
(2S)-2-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylic acid
CID 67090908

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid (CID 166772595) is (2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid is Cc1cccnc1OCC(C)(C)NC(=O)C[C@H]1CCCN1C(=O)O.
What is the InChIKey of (2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid?
The InChIKey is PZWFTBXSKZYYLD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12-6-4-8-18-15(12)24-11-17(2,3)19-14(21)10-13-7-5-9-20(13)16(22)23/h4,6,8,13H,5,7,9-11H2,1-3H3,(H,19,21)(H,22,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid?
(2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]amino]-2-oxoethyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 166772595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).