methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate

C13H16ClNO2 — CID 43632755

IUPACmethyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate
SMILESCOC(=O)CNC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C13H16ClNO2/c1-17-13(16)8-15-10-6-9(7-10)11-4-2-3-5-12(11)14/h2-5,9-10,15H,6-8H2,1H3
InChIKeyDJPDEIQOHIKQEL-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.35
Rot. Bonds4

About methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate

methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate (PubChem CID 43632755) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate
PubChem CID43632755
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Namemethyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate
SMILESCOC(=O)CNC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C13H16ClNO2/c1-17-13(16)8-15-10-6-9(7-10)11-4-2-3-5-12(11)14/h2-5,9-10,15H,6-8H2,1H3
InChIKeyDJPDEIQOHIKQEL-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine
CID 79551184
3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol
CID 106172971
ethyl 2-[[3-(2-fluorophenyl)cyclobutyl]amino]acetate
CID 54921064
methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-3-methylpentanoate
CID 43732446
3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632516
N-[3-(2-chlorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634888
2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide
CID 106333820
2-[[3-(2-methoxyphenyl)cyclobutyl]amino]-N,N-dimethylacetamide
CID 43635304
N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide
CID 75373370
1-[[3-(2-chlorophenyl)cyclobutyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246004
N-ethyl-2-[[3-(2-methoxyphenyl)cyclobutyl]amino]acetamide
CID 43635655
1-[[[3-(2-chlorophenyl)cyclobutyl]amino]methyl]-4-methylcyclohexan-1-ol
CID 65117559

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate?
The IUPAC name of methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate (CID 43632755) is methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate is COC(=O)CNC1CC(c2ccccc2Cl)C1.
What is the InChIKey of methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate?
The InChIKey is DJPDEIQOHIKQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-17-13(16)8-15-10-6-9(7-10)11-4-2-3-5-12(11)14/h2-5,9-10,15H,6-8H2,1H3.
What are the key properties of methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate?
methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate has a molecular weight of 253.73 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate is sourced from PubChem (CID 43632755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).