ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate

C13H23NO3 — CID 78909794

IUPACethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)C1(C)CCCC1
InChIInChI=1S/C13H23NO3/c1-3-17-11(15)7-6-10-14-12(16)13(2)8-4-5-9-13/h3-10H2,1-2H3,(H,14,16)
InChIKeyPYDFEXXCLFWWON-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.03
Rot. Bonds6

About ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate

ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate (PubChem CID 78909794) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate
PubChem CID78909794
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)C1(C)CCCC1
InChIInChI=1S/C13H23NO3/c1-3-17-11(15)7-6-10-14-12(16)13(2)8-4-5-9-13/h3-10H2,1-2H3,(H,14,16)
InChIKeyPYDFEXXCLFWWON-UHFFFAOYSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate
CID 64576191
ethyl 4-[(3-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 64576192
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate
CID 64575035
N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide
CID 106825990
ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]butanoate
CID 64575036
ethyl 3-[(1-aminocyclobutanecarbonyl)amino]propanoate
CID 81169398
ethyl 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoate
CID 104678297
ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
ethyl 4-[(2,2-dimethylcyclopropanecarbonyl)amino]butanoate
CID 103837341
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]propanoate;hydrochloride
CID 119708251
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate (CID 78909794) is ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate is CCOC(=O)CCCNC(=O)C1(C)CCCC1.
What is the InChIKey of ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate?
The InChIKey is PYDFEXXCLFWWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-17-11(15)7-6-10-14-12(16)13(2)8-4-5-9-13/h3-10H2,1-2H3,(H,14,16).
What are the key properties of ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate?
ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate has a molecular weight of 241.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate is sourced from PubChem (CID 78909794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).