2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid

C13H22N2O4 — CID 61202948

IUPAC2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)NC1CCOCC1)C1CCCC1
InChIInChI=1S/C13H22N2O4/c16-12(17)9-15(11-3-1-2-4-11)13(18)14-10-5-7-19-8-6-10/h10-11H,1-9H2,(H,14,18)(H,16,17)
InChIKeyWBZVEADLFIXWAG-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.20
Rot. Bonds4

About 2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid

2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid (PubChem CID 61202948) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid
PubChem CID61202948
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)NC1CCOCC1)C1CCCC1
InChIInChI=1S/C13H22N2O4/c16-12(17)9-15(11-3-1-2-4-11)13(18)14-10-5-7-19-8-6-10/h10-11H,1-9H2,(H,14,18)(H,16,17)
InChIKeyWBZVEADLFIXWAG-UHFFFAOYSA-N
XLogP1.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid (CID 61202948) is 2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid is O=C(O)CN(C(=O)NC1CCOCC1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid?
The InChIKey is WBZVEADLFIXWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-12(17)9-15(11-3-1-2-4-11)13(18)14-10-5-7-19-8-6-10/h10-11H,1-9H2,(H,14,18)(H,16,17).
What are the key properties of 2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid?
2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(oxan-4-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61202948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).