ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate

C13H24N2O3 — CID 64916038

IUPACethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC1CCC(CC)C1C
InChIInChI=1S/C13H24N2O3/c1-4-10-6-7-11(9(10)3)15-13(17)14-8-12(16)18-5-2/h9-11H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyBPBIRSZAVWFIRC-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.67
Rot. Bonds5

About ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate

ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate (PubChem CID 64916038) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate
PubChem CID64916038
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NC1CCC(CC)C1C
InChIInChI=1S/C13H24N2O3/c1-4-10-6-7-11(9(10)3)15-13(17)14-8-12(16)18-5-2/h9-11H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyBPBIRSZAVWFIRC-UHFFFAOYSA-N
XLogP1.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3,4-dimethylcyclohexyl)carbamoylamino]acetate
CID 64743741
N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide
CID 64914468
N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinyl-2-oxoacetamide
CID 64917052
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64915825
ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate
CID 43445728
2-amino-N-(3-ethyl-2-methylcyclopentyl)-3,3-dimethylbutanamide
CID 77050507
ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)acetate
CID 60971011
N-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide
CID 114038212
propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate
CID 116656380
ethyl 3-[(3-ethyl-2-methylcyclopentyl)amino]-2-methylpropanoate
CID 64921594
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methylpentanoic acid
CID 64916428
N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide
CID 103515760

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate (CID 64916038) is ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)NC1CCC(CC)C1C.
What is the InChIKey of ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate?
The InChIKey is BPBIRSZAVWFIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-10-6-7-11(9(10)3)15-13(17)14-8-12(16)18-5-2/h9-11H,4-8H2,1-3H3,(H2,14,15,17).
What are the key properties of ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate?
ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate has a molecular weight of 256.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate is sourced from PubChem (CID 64916038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).