methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate

C14H20ClNO2 — CID 66096712

IUPACmethyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate
SMILESCOC(=O)CC(C)(c1ccccc1Cl)C(C)(C)N
InChIInChI=1S/C14H20ClNO2/c1-13(2,16)14(3,9-12(17)18-4)10-7-5-6-8-11(10)15/h5-8H,9,16H2,1-4H3
InChIKeyJOGPUKMDMKNPJP-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.90
Rot. Bonds4

About methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate

methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate (PubChem CID 66096712) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate
PubChem CID66096712
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Namemethyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate
SMILESCOC(=O)CC(C)(c1ccccc1Cl)C(C)(C)N
InChIInChI=1S/C14H20ClNO2/c1-13(2,16)14(3,9-12(17)18-4)10-7-5-6-8-11(10)15/h5-8H,9,16H2,1-4H3
InChIKeyJOGPUKMDMKNPJP-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

Analyze methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate 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

methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate
CID 66098598
methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate
CID 66099026
methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate
CID 66097553
methyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849227
ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate
CID 60788388
methyl 4-amino-3-(4-bromo-2-fluorophenyl)-3,4-dimethylpentanoate
CID 82973423
methyl 4-amino-3-(3-bromophenyl)-3,4-dimethylpentanoate
CID 66089307
2-amino-2-(2-chlorophenyl)propan-1-ol
CID 54776181
ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
CID 60796649
methyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate
CID 66096855
2-(2-chlorophenyl)-2-(propan-2-ylamino)propanamide
CID 60788357
methyl 3-(2-bromophenyl)-3-hydroxybutanoate
CID 171366058

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate?
The IUPAC name of methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate (CID 66096712) is methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate.
What is the SMILES notation for methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate?
The canonical SMILES for methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate is COC(=O)CC(C)(c1ccccc1Cl)C(C)(C)N.
What is the InChIKey of methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate?
The InChIKey is JOGPUKMDMKNPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-13(2,16)14(3,9-12(17)18-4)10-7-5-6-8-11(10)15/h5-8H,9,16H2,1-4H3.
What are the key properties of methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate?
methyl 4-amino-3-(2-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-(2-chlorophenyl)-3,4-dimethylpentanoate is sourced from PubChem (CID 66096712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).