methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate

C12H17NO3 — CID 79013708

IUPACmethyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate
SMILESCOCc1ccc([C@H](N)CC(=O)OC)cc1
InChIInChI=1S/C12H17NO3/c1-15-8-9-3-5-10(6-4-9)11(13)7-12(14)16-2/h3-6,11H,7-8,13H2,1-2H3/t11-/m1/s1
InChIKeyTZQGMAWGJWBTCW-LLVKDONJSA-N
MW223.27 g/mol
LogP1.40
Rot. Bonds5

About methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate

methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate (PubChem CID 79013708) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate
PubChem CID79013708
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate
SMILESCOCc1ccc([C@H](N)CC(=O)OC)cc1
InChIInChI=1S/C12H17NO3/c1-15-8-9-3-5-10(6-4-9)11(13)7-12(14)16-2/h3-6,11H,7-8,13H2,1-2H3/t11-/m1/s1
InChIKeyTZQGMAWGJWBTCW-LLVKDONJSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate
CID 66097697
methyl (3S)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoate
CID 79018358
methyl 3-amino-3-(4-methylphenyl)propanoate
CID 2769473
methyl (3R)-3-amino-3-[4-(difluoromethyl)phenyl]propanoate
CID 79018359
methyl 3-amino-3-(4-propan-2-ylphenyl)propanoate;hydrochloride
CID 137346948
methyl (3S)-3-amino-3-(4-methylsulfonylphenyl)propanoate
CID 171238940
3-[4-(1-amino-3-methoxy-3-oxopropyl)phenyl]propanoic acid;hydrochloride
CID 162344784
methyl 4-[(1R)-1-amino-3-methoxy-3-oxopropyl]benzoate
CID 171250582
methyl (3R)-3-amino-3-(4-methylsulfonylphenyl)propanoate;hydrochloride
CID 171245659
methyl 3-amino-3-(4-cyanophenyl)propanoate
CID 2769464
4-amino-4-[4-(methoxymethyl)phenyl]butanoic acid
CID 117319626
2-methoxy-1-[4-(methoxymethyl)phenyl]ethanamine
CID 18507864

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate?
The IUPAC name of methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate (CID 79013708) is methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate is COCc1ccc([C@H](N)CC(=O)OC)cc1.
What is the InChIKey of methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate?
The InChIKey is TZQGMAWGJWBTCW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-8-9-3-5-10(6-4-9)11(13)7-12(14)16-2/h3-6,11H,7-8,13H2,1-2H3/t11-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate?
methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate has a molecular weight of 223.27 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate is sourced from PubChem (CID 79013708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).