2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid

C15H21N3O3 — CID 107340803

IUPAC2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid
SMILESCCC1CCC(C)N1C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C15H21N3O3/c1-3-13-7-4-10(2)18(13)15(21)17-12-6-5-11(16-9-12)8-14(19)20/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySCVSZIMVZKMYST-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.50
Rot. Bonds4

About 2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid

2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid (PubChem CID 107340803) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid
PubChem CID107340803
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid
SMILESCCC1CCC(C)N1C(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C15H21N3O3/c1-3-13-7-4-10(2)18(13)15(21)17-12-6-5-11(16-9-12)8-14(19)20/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeySCVSZIMVZKMYST-UHFFFAOYSA-N
XLogP2.50
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid
CID 107340448
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid
CID 107340584
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340676
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-fluorobenzoic acid
CID 83220591
2-[5-[(2,2-dimethylcyclopropyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340629
2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340431
2-[5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-pyridinyl]acetic acid
CID 107340505
2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339881

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid (CID 107340803) is 2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid is CCC1CCC(C)N1C(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid?
The InChIKey is SCVSZIMVZKMYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-13-7-4-10(2)18(13)15(21)17-12-6-5-11(16-9-12)8-14(19)20/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid?
2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).