methyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate

C14H25NO4 — CID 80709869

IUPACmethyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate
SMILESCCOCCCC(=O)N(CC(=O)OC)C1CCCC1
InChIInChI=1S/C14H25NO4/c1-3-19-10-6-9-13(16)15(11-14(17)18-2)12-7-4-5-8-12/h12H,3-11H2,1-2H3
InChIKeyXSPRUJIYGZAISY-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.75
Rot. Bonds8

About methyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate

methyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate (PubChem CID 80709869) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate
PubChem CID80709869
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate
SMILESCCOCCCC(=O)N(CC(=O)OC)C1CCCC1
InChIInChI=1S/C14H25NO4/c1-3-19-10-6-9-13(16)15(11-14(17)18-2)12-7-4-5-8-12/h12H,3-11H2,1-2H3
InChIKeyXSPRUJIYGZAISY-UHFFFAOYSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 15925521
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CID 43407383
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CID 54415895
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CID 55008526
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CID 140420273
CID 140420273
CID 154383050
CID 154383050
CID 155570509
CID 155570509
CID 54896300
CID 54896300
CID 54898818
CID 54898818
CID 54900716
CID 54900716
CID 54916299
CID 54916299
CID 54926754
CID 54926754

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate (CID 80709869) is methyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate is CCOCCCC(=O)N(CC(=O)OC)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate?
The InChIKey is XSPRUJIYGZAISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-19-10-6-9-13(16)15(11-14(17)18-2)12-7-4-5-8-12/h12H,3-11H2,1-2H3.
What are the key properties of methyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate?
methyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate has a molecular weight of 271.36 g/mol, XLogP of 1.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(4-ethoxybutanoyl)amino]acetate is sourced from PubChem (CID 80709869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).