methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate

C14H20ClNO2 — CID 66098598

IUPACmethyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate
SMILESCOC(=O)CC(C)(c1cccc(Cl)c1)C(C)(C)N
InChIInChI=1S/C14H20ClNO2/c1-13(2,16)14(3,9-12(17)18-4)10-6-5-7-11(15)8-10/h5-8H,9,16H2,1-4H3
InChIKeyLMQMDWQYAITGGS-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.90
Rot. Bonds4

About methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate

methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate (PubChem CID 66098598) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate
PubChem CID66098598
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namemethyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate
SMILESCOC(=O)CC(C)(c1cccc(Cl)c1)C(C)(C)N
InChIInChI=1S/C14H20ClNO2/c1-13(2,16)14(3,9-12(17)18-4)10-6-5-7-11(15)8-10/h5-8H,9,16H2,1-4H3
InChIKeyLMQMDWQYAITGGS-UHFFFAOYSA-N
XLogP2.90
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

methyl 4-amino-3-(3-bromophenyl)-3,4-dimethylpentanoate
CID 66089307
methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate
CID 66099026
methyl 3-(tert-butylsulfinylamino)-3-(3-chlorophenyl)butanoate
CID 140758091
methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate
CID 66096712
3-amino-3-(3-chlorophenyl)butanoic acid
CID 64664943
3-amino-3-(3-chlorophenyl)pentanoic acid
CID 64665989
[2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate
CID 175520847
ethyl 2-(3-chlorophenyl)-2,3-dimethylbutanoate
CID 117047944
ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate
CID 64540117
tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride
CID 138401045
ethyl 2-(3-chlorophenyl)-2-(methylamino)butanoate
CID 60788391
ethyl 2-anilino-2-(3-chlorophenyl)propanoate
CID 60992307

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate?
The IUPAC name of methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate (CID 66098598) is methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate.
What is the SMILES notation for methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate?
The canonical SMILES for methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate is COC(=O)CC(C)(c1cccc(Cl)c1)C(C)(C)N.
What is the InChIKey of methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate?
The InChIKey is LMQMDWQYAITGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-13(2,16)14(3,9-12(17)18-4)10-6-5-7-11(15)8-10/h5-8H,9,16H2,1-4H3.
What are the key properties of methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate?
methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate has a molecular weight of 269.77 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate is sourced from PubChem (CID 66098598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).