2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid

C13H20N2O6 — CID 61069501

IUPAC2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCOC(=O)CNC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H20N2O6/c1-21-11(19)8-14-12(20)15-9(16)6-13(7-10(17)18)4-2-3-5-13/h2-8H2,1H3,(H,17,18)(H2,14,15,16,20)
InChIKeyIBTLSNJABUGABQ-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.41
Rot. Bonds6

About 2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61069501) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61069501
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCOC(=O)CNC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H20N2O6/c1-21-11(19)8-14-12(20)15-9(16)6-13(7-10(17)18)4-2-3-5-13/h2-8H2,1H3,(H,17,18)(H2,14,15,16,20)
InChIKeyIBTLSNJABUGABQ-UHFFFAOYSA-N
XLogP0.41
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61069501) is 2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid is COC(=O)CNC(=O)NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is IBTLSNJABUGABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-21-11(19)8-14-12(20)15-9(16)6-13(7-10(17)18)4-2-3-5-13/h2-8H2,1H3,(H,17,18)(H2,14,15,16,20).
What are the key properties of 2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 300.31 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61069501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).