2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid

C13H22N2O4 — CID 82729085

IUPAC2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid
SMILESCC1OCCC1NC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H22N2O4/c1-9-10(4-7-19-9)14-12(18)15-13(8-11(16)17)5-2-3-6-13/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyZORUWFYKDUFUCC-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.25
Rot. Bonds4

About 2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid

2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid (PubChem CID 82729085) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid
PubChem CID82729085
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid
SMILESCC1OCCC1NC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H22N2O4/c1-9-10(4-7-19-9)14-12(18)15-13(8-11(16)17)5-2-3-6-13/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyZORUWFYKDUFUCC-UHFFFAOYSA-N
XLogP1.25
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid (CID 82729085) is 2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid is CC1OCCC1NC(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid?
The InChIKey is ZORUWFYKDUFUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-10(4-7-19-9)14-12(18)15-13(8-11(16)17)5-2-3-6-13/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid?
2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid is sourced from PubChem (CID 82729085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).