[4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate

C12H15NO2 — CID 171209811

IUPAC[4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc([C@H](N)C2CC2)cc1
InChIInChI=1S/C12H15NO2/c1-8(14)15-11-6-4-10(5-7-11)12(13)9-2-3-9/h4-7,9,12H,2-3,13H2,1H3/t12-/m1/s1
InChIKeyGBYUVYSQNZIFBB-GFCCVEGCSA-N
MW205.26 g/mol
LogP2.02
Rot. Bonds3

About [4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate

[4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate (PubChem CID 171209811) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate
PubChem CID171209811
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate
SMILESCC(=O)Oc1ccc([C@H](N)C2CC2)cc1
InChIInChI=1S/C12H15NO2/c1-8(14)15-11-6-4-10(5-7-11)12(13)9-2-3-9/h4-7,9,12H,2-3,13H2,1H3/t12-/m1/s1
InChIKeyGBYUVYSQNZIFBB-GFCCVEGCSA-N
XLogP2.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(R)-cyclopropyl-(4-trimethylsilyloxyphenyl)methanamine
CID 171207318
[4-[amino(cyano)methyl]phenyl] acetate
CID 45091437
[4-[(R)-amino(cyclobutyl)methyl]-2-hydroxyphenyl] acetate;hydrochloride
CID 171214108
[4-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl] acetate;hydrochloride
CID 171242944
[4-[(1R)-1-amino-3-methylbutyl]phenyl] acetate
CID 171209799
[4-(1-fluoroethyl)phenyl] acetate
CID 90646044
[4-[(1R)-1-amino-3-methylbutyl]phenyl] acetate;hydrochloride
CID 171209800
[4-(1,2,2-tribromoethyl)phenyl] acetate
CID 175423207
[4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenyl] acetate
CID 139697360
[4-(1-hydroperoxyethyl)phenyl] acetate
CID 59899885
diethyl 2-(4-acetyloxyphenyl)propanedioate
CID 134937799
[4-[(1S)-1-amino-3,3-difluoropropyl]phenyl] acetate;hydrochloride
CID 171313184

Frequently Asked Questions

What is the IUPAC name of [4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate?
The IUPAC name of [4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate (CID 171209811) is [4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate.
What is the SMILES notation for [4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate?
The canonical SMILES for [4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate is CC(=O)Oc1ccc([C@H](N)C2CC2)cc1.
What is the InChIKey of [4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate?
The InChIKey is GBYUVYSQNZIFBB-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(14)15-11-6-4-10(5-7-11)12(13)9-2-3-9/h4-7,9,12H,2-3,13H2,1H3/t12-/m1/s1.
What are the key properties of [4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate?
[4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate has a molecular weight of 205.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(R)-amino(cyclopropyl)methyl]phenyl] acetate is sourced from PubChem (CID 171209811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).