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

C14H18ClNO2 — CID 60780699

IUPACmethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
SMILESCOC(=O)C(C)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C14H18ClNO2/c1-9(14(17)18-2)16-13-7-11(8-13)10-4-3-5-12(15)6-10/h3-6,9,11,13,16H,7-8H2,1-2H3
InChIKeyQAZSBORTUFRZLI-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.74
Rot. Bonds4

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

methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate (PubChem CID 60780699) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
PubChem CID60780699
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Namemethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
SMILESCOC(=O)C(C)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C14H18ClNO2/c1-9(14(17)18-2)16-13-7-11(8-13)10-4-3-5-12(15)6-10/h3-6,9,11,13,16H,7-8H2,1-2H3
InChIKeyQAZSBORTUFRZLI-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 61498206
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide
CID 106344516
2-[[3-(3-fluorophenyl)cyclobutyl]amino]propanamide
CID 43635571
(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
CID 79253874
3-(3-chlorophenyl)-N-(5-methylhexan-2-yl)cyclobutan-1-amine
CID 43634179
3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954950
2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634758
3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 63449056
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate
CID 54921027
methyl (2S)-2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propanoate
CID 113291777
3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine
CID 81402505
methyl (2R,3S)-3-hydroxy-2-[(3-phenylcyclobutyl)amino]butanoate
CID 99834984

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate?
The IUPAC name of methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate (CID 60780699) is methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate?
The canonical SMILES for methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate is COC(=O)C(C)NC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate?
The InChIKey is QAZSBORTUFRZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9(14(17)18-2)16-13-7-11(8-13)10-4-3-5-12(15)6-10/h3-6,9,11,13,16H,7-8H2,1-2H3.
What are the key properties of methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate?
methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate has a molecular weight of 267.76 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate is sourced from PubChem (CID 60780699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).