methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate

C13H17NO2 — CID 115031363

IUPACmethyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CC1(N)CC1
InChIInChI=1S/C13H17NO2/c1-16-12(15)8-10-4-2-3-5-11(10)9-13(14)6-7-13/h2-5H,6-9,14H2,1H3
InChIKeyCVNVBUCNTSYNDT-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.44
Rot. Bonds4

About methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate

methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate (PubChem CID 115031363) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate
PubChem CID115031363
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CC1(N)CC1
InChIInChI=1S/C13H17NO2/c1-16-12(15)8-10-4-2-3-5-11(10)9-13(14)6-7-13/h2-5H,6-9,14H2,1H3
InChIKeyCVNVBUCNTSYNDT-UHFFFAOYSA-N
XLogP1.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide
CID 115039045
2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-tert-butylacetamide
CID 115056137
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
methyl 2-[2-(1-chlorocyclopropyl)phenyl]acetate
CID 174792634
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
methyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate
CID 115462176
methyl 2-(2-butylphenyl)acetate
CID 141125258
methyl 3-[2-(1-aminocyclopropyl)phenyl]propanoate
CID 115031368
methyl 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]acetate
CID 115462844
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
sodium 2-(2-methoxy-2-oxoethyl)phenolate
CID 162306929

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate (CID 115031363) is methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate is COC(=O)Cc1ccccc1CC1(N)CC1.
What is the InChIKey of methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate?
The InChIKey is CVNVBUCNTSYNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-12(15)8-10-4-2-3-5-11(10)9-13(14)6-7-13/h2-5H,6-9,14H2,1H3.
What are the key properties of methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate?
methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate has a molecular weight of 219.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate is sourced from PubChem (CID 115031363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).