ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate

C16H23NO4 — CID 107709953

IUPACethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(Oc2ccc(CCO)cc2)C1
InChIInChI=1S/C16H23NO4/c1-2-20-15(19)16(17)9-7-14(11-16)21-13-5-3-12(4-6-13)8-10-18/h3-6,14,18H,2,7-11,17H2,1H3
InChIKeyPSEJQZSIVNVSIU-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.41
Rot. Bonds6

About ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate

ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate (PubChem CID 107709953) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate
PubChem CID107709953
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(Oc2ccc(CCO)cc2)C1
InChIInChI=1S/C16H23NO4/c1-2-20-15(19)16(17)9-7-14(11-16)21-13-5-3-12(4-6-13)8-10-18/h3-6,14,18H,2,7-11,17H2,1H3
InChIKeyPSEJQZSIVNVSIU-UHFFFAOYSA-N
XLogP1.41
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate (CID 107709953) is ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(Oc2ccc(CCO)cc2)C1.
What is the InChIKey of ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate?
The InChIKey is PSEJQZSIVNVSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-20-15(19)16(17)9-7-14(11-16)21-13-5-3-12(4-6-13)8-10-18/h3-6,14,18H,2,7-11,17H2,1H3.
What are the key properties of ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate?
ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-[4-(2-hydroxyethyl)phenoxy]cyclopentane-1-carboxylate is sourced from PubChem (CID 107709953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).