2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid

C17H23N3O4 — CID 167754418

IUPAC2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)NC(C(=O)O)C1CCCC1
InChIInChI=1S/C17H23N3O4/c1-10-12(8-9-13(18-10)16(22)20(2)3)15(21)19-14(17(23)24)11-6-4-5-7-11/h8-9,11,14H,4-7H2,1-3H3,(H,19,21)(H,23,24)
InChIKeyPDIKKHDCHDDVPW-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.47
Rot. Bonds5

About 2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid

2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid (PubChem CID 167754418) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid
PubChem CID167754418
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)NC(C(=O)O)C1CCCC1
InChIInChI=1S/C17H23N3O4/c1-10-12(8-9-13(18-10)16(22)20(2)3)15(21)19-14(17(23)24)11-6-4-5-7-11/h8-9,11,14H,4-7H2,1-3H3,(H,19,21)(H,23,24)
InChIKeyPDIKKHDCHDDVPW-UHFFFAOYSA-N
XLogP1.47
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid (CID 167754418) is 2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid is Cc1nc(C(=O)N(C)C)ccc1C(=O)NC(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid?
The InChIKey is PDIKKHDCHDDVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-10-12(8-9-13(18-10)16(22)20(2)3)15(21)19-14(17(23)24)11-6-4-5-7-11/h8-9,11,14H,4-7H2,1-3H3,(H,19,21)(H,23,24).
What are the key properties of 2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid?
2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid has a molecular weight of 333.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[[6-(dimethylcarbamoyl)-2-methylpyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 167754418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).