2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid

C15H27N3O3 — CID 83018482

IUPAC2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid
SMILESCC1CCCC(C)N1NC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C15H27N3O3/c1-11-6-5-7-12(2)18(11)16-15(21)17(10-14(19)20)13-8-3-4-9-13/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyFBTQOHNPQJLRMD-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.20
Rot. Bonds4

About 2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid

2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid (PubChem CID 83018482) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid
PubChem CID83018482
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid
SMILESCC1CCCC(C)N1NC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C15H27N3O3/c1-11-6-5-7-12(2)18(11)16-15(21)17(10-14(19)20)13-8-3-4-9-13/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyFBTQOHNPQJLRMD-UHFFFAOYSA-N
XLogP2.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid (CID 83018482) is 2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid is CC1CCCC(C)N1NC(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid?
The InChIKey is FBTQOHNPQJLRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-6-5-7-12(2)18(11)16-15(21)17(10-14(19)20)13-8-3-4-9-13/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid?
2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(2,6-dimethylpiperidin-1-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 83018482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).