ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate

C17H22FNO3 — CID 75405903

IUPACethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate
SMILESCCOC(=O)CN(CC1CC1)C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C17H22FNO3/c1-2-22-17(21)12-19(11-14-3-4-14)16(20)10-7-13-5-8-15(18)9-6-13/h5-6,8-9,14H,2-4,7,10-12H2,1H3
InChIKeyDTHBCTNOIKROND-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.56
Rot. Bonds8

About ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate

ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate (PubChem CID 75405903) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate
PubChem CID75405903
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Nameethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate
SMILESCCOC(=O)CN(CC1CC1)C(=O)CCc1ccc(F)cc1
InChIInChI=1S/C17H22FNO3/c1-2-22-17(21)12-19(11-14-3-4-14)16(20)10-7-13-5-8-15(18)9-6-13/h5-6,8-9,14H,2-4,7,10-12H2,1H3
InChIKeyDTHBCTNOIKROND-UHFFFAOYSA-N
XLogP2.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate (CID 75405903) is ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate is CCOC(=O)CN(CC1CC1)C(=O)CCc1ccc(F)cc1.
What is the InChIKey of ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate?
The InChIKey is DTHBCTNOIKROND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-2-22-17(21)12-19(11-14-3-4-14)16(20)10-7-13-5-8-15(18)9-6-13/h5-6,8-9,14H,2-4,7,10-12H2,1H3.
What are the key properties of ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate?
ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate has a molecular weight of 307.37 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropylmethyl-[3-(4-fluorophenyl)propanoyl]amino]acetate is sourced from PubChem (CID 75405903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).