ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate

C14H20ClNO2 — CID 117049814

IUPACethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate
SMILESCCOC(=O)C(C)(CCCN)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-3-18-13(17)14(2,8-5-9-16)11-6-4-7-12(15)10-11/h4,6-7,10H,3,5,8-9,16H2,1-2H3
InChIKeyXNJIQDDULPKDNG-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.90
Rot. Bonds6

About ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate

ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate (PubChem CID 117049814) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate
PubChem CID117049814
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Nameethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate
SMILESCCOC(=O)C(C)(CCCN)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-3-18-13(17)14(2,8-5-9-16)11-6-4-7-12(15)10-11/h4,6-7,10H,3,5,8-9,16H2,1-2H3
InChIKeyXNJIQDDULPKDNG-UHFFFAOYSA-N
XLogP2.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-amino-2-methyl-2-(3-methylphenyl)pentanoate
CID 117049798
ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate
CID 117049792
ethyl 2-(3-chlorophenyl)-2,3-dimethylbutanoate
CID 117047944
ethyl 2-anilino-2-(3-chlorophenyl)propanoate
CID 60992307
ethyl 4-hydroxy-2-methyl-2-(3-methylphenyl)butanoate
CID 117049965
ethyl 2-(3-chlorophenyl)-2-(methylamino)butanoate
CID 60788391
4-(3-chlorophenyl)-4,4-diphenylbutan-1-amine
CID 57326677
ethyl 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanoate
CID 117049944
ethyl 6-iodo-2-methyl-2-phenylhexanoate
CID 142212090
ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate
CID 60788385
ethyl 2-(3-hydroxyphenyl)-2-methylbutanoate
CID 19091445
ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate
CID 64540117

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate?
The IUPAC name of ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate (CID 117049814) is ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate.
What is the SMILES notation for ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate?
The canonical SMILES for ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate is CCOC(=O)C(C)(CCCN)c1cccc(Cl)c1.
What is the InChIKey of ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate?
The InChIKey is XNJIQDDULPKDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-18-13(17)14(2,8-5-9-16)11-6-4-7-12(15)10-11/h4,6-7,10H,3,5,8-9,16H2,1-2H3.
What are the key properties of ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate?
ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate has a molecular weight of 269.77 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(3-chlorophenyl)-2-methylpentanoate is sourced from PubChem (CID 117049814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).