methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate

C14H19NO2 — CID 115039579

IUPACmethyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate
SMILESCOC(=O)C(C)c1cccc(CC2(N)CC2)c1
InChIInChI=1S/C14H19NO2/c1-10(13(16)17-2)12-5-3-4-11(8-12)9-14(15)6-7-14/h3-5,8,10H,6-7,9,15H2,1-2H3
InChIKeyWEFGUXOIGJMOMV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.00
Rot. Bonds4

About methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate

methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate (PubChem CID 115039579) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate
PubChem CID115039579
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate
SMILESCOC(=O)C(C)c1cccc(CC2(N)CC2)c1
InChIInChI=1S/C14H19NO2/c1-10(13(16)17-2)12-5-3-4-11(8-12)9-14(15)6-7-14/h3-5,8,10H,6-7,9,15H2,1-2H3
InChIKeyWEFGUXOIGJMOMV-UHFFFAOYSA-N
XLogP2.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-methylpropanamide
CID 115039048
methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
CID 124604133
methyl 2-[3-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]propanoate
CID 150702826
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide
CID 115056058
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine
CID 117110925
methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate
CID 125466881
methyl 2-(3-propylphenyl)butanoate
CID 116545494
4-[(1-aminocyclopropyl)methyl]-N-propan-2-ylbenzamide
CID 115039039
methyl 2-[3-(4-tritiophenoxy)phenyl]propanoate
CID 162424494
[3-[2-[3-(hydroxymethyl)phenyl]propanoyloxy]-2-[2-[3-(hydroxymethyl)phenyl]propanoyloxymethyl]-2-methylpropyl] 2-[3-(hydroxymethyl)phenyl]propanoate
CID 58152767
methyl 2-[3-(3-methoxybenzoyl)phenyl]propanoate
CID 10590178
(2S)-2-[3-(2-methylpropyl)phenyl]propanamide
CID 124743513

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate?
The IUPAC name of methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate (CID 115039579) is methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate.
What is the SMILES notation for methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate?
The canonical SMILES for methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate is COC(=O)C(C)c1cccc(CC2(N)CC2)c1.
What is the InChIKey of methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate?
The InChIKey is WEFGUXOIGJMOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(13(16)17-2)12-5-3-4-11(8-12)9-14(15)6-7-14/h3-5,8,10H,6-7,9,15H2,1-2H3.
What are the key properties of methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate?
methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate has a molecular weight of 233.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(1-aminocyclopropyl)methyl]phenyl]propanoate is sourced from PubChem (CID 115039579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).