propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate

C12H17NO3 — CID 163303603

IUPACpropyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
SMILESCCCOC(=O)[C@H](N)c1ccc(OC)cc1
InChIInChI=1S/C12H17NO3/c1-3-8-16-12(14)11(13)9-4-6-10(15-2)7-5-9/h4-7,11H,3,8,13H2,1-2H3/t11-/m1/s1
InChIKeyALQBFMIODNHMKS-LLVKDONJSA-N
MW223.27 g/mol
LogP1.65
Rot. Bonds5

About propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate

propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate (PubChem CID 163303603) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Namepropyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
PubChem CID163303603
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namepropyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
SMILESCCCOC(=O)[C@H](N)c1ccc(OC)cc1
InChIInChI=1S/C12H17NO3/c1-3-8-16-12(14)11(13)9-4-6-10(15-2)7-5-9/h4-7,11H,3,8,13H2,1-2H3/t11-/m1/s1
InChIKeyALQBFMIODNHMKS-LLVKDONJSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
2-amino-2-(4-methoxyphenyl)acetamide
CID 14569003
(2S)-2-amino-2-(4-methoxyphenyl)acetamide
CID 54341108
tert-butyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840712
tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840713
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
2-(4-methoxyphenyl)-2-propoxyacetic acid
CID 83223962
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939
2-propoxyethyl 2-amino-2-phenylacetate
CID 55234460
propyl 3,3-difluoro-2-hydroxy-3-(4-methoxyphenyl)propanoate
CID 135175435
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909

Frequently Asked Questions

What is the IUPAC name of propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate?
The IUPAC name of propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate (CID 163303603) is propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate.
What is the SMILES notation for propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate?
The canonical SMILES for propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate is CCCOC(=O)[C@H](N)c1ccc(OC)cc1.
What is the InChIKey of propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate?
The InChIKey is ALQBFMIODNHMKS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-8-16-12(14)11(13)9-4-6-10(15-2)7-5-9/h4-7,11H,3,8,13H2,1-2H3/t11-/m1/s1.
What are the key properties of propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate?
propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate has a molecular weight of 223.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2R)-2-amino-2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 163303603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).