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

C12H20N2O4 — CID 61069309

IUPAC2-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCNC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H20N2O4/c1-2-13-11(18)14-9(15)7-12(8-10(16)17)5-3-4-6-12/h2-8H2,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyUWGCTFCTPFKXIU-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.26
Rot. Bonds5

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

2-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61069309) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61069309
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCNC(=O)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H20N2O4/c1-2-13-11(18)14-9(15)7-12(8-10(16)17)5-3-4-6-12/h2-8H2,1H3,(H,16,17)(H2,13,14,15,18)
InChIKeyUWGCTFCTPFKXIU-UHFFFAOYSA-N
XLogP1.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid (CID 61069309) is 2-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid is CCNC(=O)NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is UWGCTFCTPFKXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-13-11(18)14-9(15)7-12(8-10(16)17)5-3-4-6-12/h2-8H2,1H3,(H,16,17)(H2,13,14,15,18).
What are the key properties of 2-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(ethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61069309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).