2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

C14H25N3O4 — CID 82763720

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC(C)(C)NC(=O)CNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-13(2,3)17-10(18)8-15-12(21)16-9-6-5-7-14(9,4)11(19)20/h9H,5-8H2,1-4H3,(H,17,18)(H,19,20)(H2,15,16,21)
InChIKeyQUFRHPDUHJCLLP-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.84
Rot. Bonds4

About 2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82763720) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82763720
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC(C)(C)NC(=O)CNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-13(2,3)17-10(18)8-15-12(21)16-9-6-5-7-14(9,4)11(19)20/h9H,5-8H2,1-4H3,(H,17,18)(H,19,20)(H2,15,16,21)
InChIKeyQUFRHPDUHJCLLP-UHFFFAOYSA-N
XLogP0.84
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (CID 82763720) is 2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is CC(C)(C)NC(=O)CNC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is QUFRHPDUHJCLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-13(2,3)17-10(18)8-15-12(21)16-9-6-5-7-14(9,4)11(19)20/h9H,5-8H2,1-4H3,(H,17,18)(H,19,20)(H2,15,16,21).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).