methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate

C12H17NO3 — CID 22867083

IUPACmethyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OC[C@@H](C)N)cc1
InChIInChI=1S/C12H17NO3/c1-9(13)8-16-11-5-3-10(4-6-11)7-12(14)15-2/h3-6,9H,7-8,13H2,1-2H3/t9-/m1/s1
InChIKeySRNOYAWYVFFNBI-SECBINFHSA-N
MW223.27 g/mol
LogP1.13
Rot. Bonds5

About methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate

methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate (PubChem CID 22867083) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate
PubChem CID22867083
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OC[C@@H](C)N)cc1
InChIInChI=1S/C12H17NO3/c1-9(13)8-16-11-5-3-10(4-6-11)7-12(14)15-2/h3-6,9H,7-8,13H2,1-2H3/t9-/m1/s1
InChIKeySRNOYAWYVFFNBI-SECBINFHSA-N
XLogP1.13
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[(2S)-3-amino-4-hydroxy-2-methyl-4-phenylbutoxy]phenyl]acetate
CID 67575856
methyl 2-[4-[(3R,4S)-4-amino-4-hydroxy-2,3-dimethyl-4-phenylbutoxy]phenyl]acetate
CID 151884472
methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate
CID 169157685
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
(2S)-1-(4-methoxyphenoxy)propan-2-amine
CID 7263362
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
methyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 10987436
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate
CID 22873127
methyl 2-[4-[2-hydroxy-3-(prop-2-ynylamino)propoxy]phenyl]acetate
CID 73333119
N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119496509
methyl 3-[4-(3-amino-2-hydroxy-4-methylpentoxy)phenyl]propanoate
CID 70496026
methyl 2-[4-(1-pyridin-2-ylethoxy)phenyl]acetate
CID 117095036

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate (CID 22867083) is methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate is COC(=O)Cc1ccc(OC[C@@H](C)N)cc1.
What is the InChIKey of methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate?
The InChIKey is SRNOYAWYVFFNBI-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(13)8-16-11-5-3-10(4-6-11)7-12(14)15-2/h3-6,9H,7-8,13H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate?
methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate has a molecular weight of 223.27 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate is sourced from PubChem (CID 22867083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).