2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid

C11H20N2O3 — CID 22898742

IUPAC2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCNC(=O)NC1(C)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C11H20N2O3/c1-10(2)7(8(14)15)5-6-11(10,3)13-9(16)12-4/h7H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyNCPBBHATDBHFPT-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.19
Rot. Bonds2

About 2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid

2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 22898742) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID22898742
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCNC(=O)NC1(C)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C11H20N2O3/c1-10(2)7(8(14)15)5-6-11(10,3)13-9(16)12-4/h7H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyNCPBBHATDBHFPT-UHFFFAOYSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 22898742) is 2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid is CNC(=O)NC1(C)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is NCPBBHATDBHFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2)7(8(14)15)5-6-11(10,3)13-9(16)12-4/h7H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid?
2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(methylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 22898742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).