2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid

C11H20N2O3 — CID 103978815

IUPAC2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCNCCN(C)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-12-6-7-13(2)10(14)8-4-3-5-9(8)11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyPTFRRVYCCJRFQJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.17
Rot. Bonds5

About 2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid

2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978815) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978815
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCNCCN(C)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-12-6-7-13(2)10(14)8-4-3-5-9(8)11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16)
InChIKeyPTFRRVYCCJRFQJ-UHFFFAOYSA-N
XLogP0.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 103978815) is 2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid is CNCCN(C)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is PTFRRVYCCJRFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-12-6-7-13(2)10(14)8-4-3-5-9(8)11(15)16/h8-9,12H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid?
2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).