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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79649236
ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate
CID 79649248
ethyl 3-[4-(hydroxymethyl)phenoxy]-1-(methylamino)cyclopentane-1-carboxylate
CID 79646696
ethyl [4-(2-hydroxyethyl)phenyl] carbonate
CID 121224839
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol
CID 107709472
ethyl 1-amino-3-butoxycyclopentane-1-carboxylate
CID 79648394
ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate
CID 142527026
2-[4-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol
CID 107710114
ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate
CID 79649290
ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
CID 79649440
methyl 1-amino-3-(2-ethoxyphenoxy)cyclopentane-1-carboxylate
CID 79648377
(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520626

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).