methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate

C14H18ClNO2 — CID 60666904

IUPACmethyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
SMILESCOC(=O)C(C)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H18ClNO2/c1-9(14(17)18-2)16-13(10-3-4-10)11-5-7-12(15)8-6-11/h5-10,13,16H,3-4H2,1-2H3
InChIKeyRDYGWBJPIXWFJS-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.94
Rot. Bonds5

About methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate

methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate (PubChem CID 60666904) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
PubChem CID60666904
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Namemethyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
SMILESCOC(=O)C(C)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C14H18ClNO2/c1-9(14(17)18-2)16-13(10-3-4-10)11-5-7-12(15)8-6-11/h5-10,13,16H,3-4H2,1-2H3
InChIKeyRDYGWBJPIXWFJS-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propanoate
CID 61498267
methyl (2S)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutanoate
CID 43425691
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
CID 104827637
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371
methyl 2-[[cyclopropyl(phenyl)methyl]amino]-3-methylbutanoate
CID 60722411
N-cyclopropyl-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
CID 115575469
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 115575468
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate?
The IUPAC name of methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate (CID 60666904) is methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate?
The canonical SMILES for methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate is COC(=O)C(C)NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate?
The InChIKey is RDYGWBJPIXWFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9(14(17)18-2)16-13(10-3-4-10)11-5-7-12(15)8-6-11/h5-10,13,16H,3-4H2,1-2H3.
What are the key properties of methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate?
methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate has a molecular weight of 267.76 g/mol, XLogP of 2.94, 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)-cyclopropylmethyl]amino]propanoate is sourced from PubChem (CID 60666904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).