ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate

C14H20ClNO3 — CID 54927618

IUPACethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate
SMILESCCOC(=O)CCCC(N)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-3-19-14(17)6-4-5-12(16)10-7-8-13(18-2)11(15)9-10/h7-9,12H,3-6,16H2,1-2H3
InChIKeyAFYSNBDJKAFXJF-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.08
Rot. Bonds7

About ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate

ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate (PubChem CID 54927618) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate
PubChem CID54927618
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Nameethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate
SMILESCCOC(=O)CCCC(N)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H20ClNO3/c1-3-19-14(17)6-4-5-12(16)10-7-8-13(18-2)11(15)9-10/h7-9,12H,3-6,16H2,1-2H3
InChIKeyAFYSNBDJKAFXJF-UHFFFAOYSA-N
XLogP3.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
CID 54927664
methyl 6-amino-6-(3-chloro-4-methoxyphenyl)hexanoate
CID 60860664
ethyl 6-amino-6-(3,4-dimethoxyphenyl)hexanoate
CID 60860322
5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one
CID 116940666
1-(3-chloro-4-methoxyphenyl)pentan-1-amine
CID 43130948
ethyl 5-amino-5-(2-chloro-4,5-dimethoxyphenyl)pentanoate
CID 60860837
ethyl 6-amino-6-(4-chlorophenyl)hexanoate
CID 60860824
ethyl 5-amino-5-(3-bromo-4-propoxyphenyl)pentanoate
CID 104658360
ethyl (3R)-3-amino-3-(4-chloro-3-methoxyphenyl)propanoate
CID 171211149
3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide
CID 116848735
3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
ethyl 6-amino-6-(4-propan-2-ylphenyl)hexanoate
CID 61023992

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate?
The IUPAC name of ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate (CID 54927618) is ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate.
What is the SMILES notation for ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate?
The canonical SMILES for ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate is CCOC(=O)CCCC(N)c1ccc(OC)c(Cl)c1.
What is the InChIKey of ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate?
The InChIKey is AFYSNBDJKAFXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-3-19-14(17)6-4-5-12(16)10-7-8-13(18-2)11(15)9-10/h7-9,12H,3-6,16H2,1-2H3.
What are the key properties of ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate?
ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate has a molecular weight of 285.77 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-5-(3-chloro-4-methoxyphenyl)pentanoate is sourced from PubChem (CID 54927618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).