methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate

C15H20ClNO2 — CID 60874252

IUPACmethyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate
SMILESCOC(=O)C(NC(C)C)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H20ClNO2/c1-10(2)17-15(11-4-5-11,14(18)19-3)12-6-8-13(16)9-7-12/h6-11,17H,4-5H2,1-3H3
InChIKeyNDZMFSJPIZUSII-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.12
Rot. Bonds5

About methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate

methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate (PubChem CID 60874252) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate
PubChem CID60874252
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Namemethyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate
SMILESCOC(=O)C(NC(C)C)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H20ClNO2/c1-10(2)17-15(11-4-5-11,14(18)19-3)12-6-8-13(16)9-7-12/h6-11,17H,4-5H2,1-3H3
InChIKeyNDZMFSJPIZUSII-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate 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 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate
CID 61001353
2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid
CID 61002443
2-(4-chlorophenyl)-2-(cyclohexylamino)-2-cyclopropylacetamide
CID 60997584
methyl (2S)-2-bromo-2-(4-chlorophenyl)propanoate
CID 97034672
methyl 2-chloro-2-(4-chlorophenyl)propanoate
CID 19781425
methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 60786156
2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid
CID 61001788
methyl 2-(3,4-difluorophenyl)-2-(propan-2-ylamino)propanoate
CID 54919578
methyl 2-(cyclopentylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60998770
methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895289
methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate
CID 115002579
methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
CID 60666904

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate?
The IUPAC name of methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate (CID 60874252) is methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate is COC(=O)C(NC(C)C)(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate?
The InChIKey is NDZMFSJPIZUSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10(2)17-15(11-4-5-11,14(18)19-3)12-6-8-13(16)9-7-12/h6-11,17H,4-5H2,1-3H3.
What are the key properties of methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate?
methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate has a molecular weight of 281.78 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(propan-2-ylamino)acetate is sourced from PubChem (CID 60874252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).