3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

C12H19NO4 — CID 103551068

IUPAC3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1OCCC1NC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C12H19NO4/c1-7-10(4-5-17-7)13-11(14)8-2-3-9(6-8)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyRXBUNUYUIYHCQQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.78
Rot. Bonds3

About 3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103551068) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103551068
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1OCCC1NC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C12H19NO4/c1-7-10(4-5-17-7)13-11(14)8-2-3-9(6-8)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyRXBUNUYUIYHCQQ-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103551068) is 3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is CC1OCCC1NC(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is RXBUNUYUIYHCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7-10(4-5-17-7)13-11(14)8-2-3-9(6-8)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyloxolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).