2-[1-[2-(dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid

C12H20N2O4 — CID 61069869

IUPAC2-[1-[2-(dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(C)C(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H20N2O4/c1-14(2)11(18)13-9(15)7-12(8-10(16)17)5-3-4-6-12/h3-8H2,1-2H3,(H,16,17)(H,13,15,18)
InChIKeyPFJINEIRDNUKQW-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.21
Rot. Bonds4

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

2-[1-[2-(dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61069869) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-[2-(dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61069869
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-[2-(dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(C)C(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H20N2O4/c1-14(2)11(18)13-9(15)7-12(8-10(16)17)5-3-4-6-12/h3-8H2,1-2H3,(H,16,17)(H,13,15,18)
InChIKeyPFJINEIRDNUKQW-UHFFFAOYSA-N
XLogP1.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid (CID 61069869) is 2-[1-[2-(dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid is CN(C)C(=O)NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-(dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is PFJINEIRDNUKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-14(2)11(18)13-9(15)7-12(8-10(16)17)5-3-4-6-12/h3-8H2,1-2H3,(H,16,17)(H,13,15,18).
What are the key properties of 2-[1-[2-(dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61069869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).