ethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate

C16H21NO3 — CID 662639

IUPACethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C16H21NO3/c1-2-20-14(18)12-17-15(19)16(10-6-7-11-16)13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,17,19)
InChIKeyGTVVRRWOCJDRLM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.18
Rot. Bonds5

About ethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate

ethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate (PubChem CID 662639) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate
PubChem CID662639
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nameethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C16H21NO3/c1-2-20-14(18)12-17-15(19)16(10-6-7-11-16)13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,17,19)
InChIKeyGTVVRRWOCJDRLM-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate (CID 662639) is ethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate is CCOC(=O)CNC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of ethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate?
The InChIKey is GTVVRRWOCJDRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-20-14(18)12-17-15(19)16(10-6-7-11-16)13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,17,19).
What are the key properties of ethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate?
ethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate has a molecular weight of 275.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-phenylcyclopentanecarbonyl)amino]acetate is sourced from PubChem (CID 662639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).