methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate

C13H19NO3 — CID 131251632

IUPACmethyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C13H19NO3/c1-9(2)17-11-6-4-10(5-7-11)8-12(14)13(15)16-3/h4-7,9,12H,8,14H2,1-3H3/t12-/m1/s1
InChIKeyRKTVSTBVKDZFQJ-GFCCVEGCSA-N
MW237.30 g/mol
LogP1.52
Rot. Bonds5

About methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate

methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate (PubChem CID 131251632) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate
PubChem CID131251632
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C13H19NO3/c1-9(2)17-11-6-4-10(5-7-11)8-12(14)13(15)16-3/h4-7,9,12H,8,14H2,1-3H3/t12-/m1/s1
InChIKeyRKTVSTBVKDZFQJ-GFCCVEGCSA-N
XLogP1.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl (2S)-2-amino-3-(3-propan-2-yloxyphenyl)propanoate
CID 171238413
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl 2-amino-3-[4-(2-oxopropoxy)phenyl]propanoate
CID 143703835
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 22951626
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
3-amino-4-(4-propan-2-yloxyphenyl)butanoic acid
CID 82350711
methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate
CID 60781966
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl 2-amino-3-[4-[3-hydroxy-2-(hydroxymethyl)propoxy]phenyl]propanoate
CID 59552371

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate?
The IUPAC name of methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate (CID 131251632) is methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate is COC(=O)[C@H](N)Cc1ccc(OC(C)C)cc1.
What is the InChIKey of methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate?
The InChIKey is RKTVSTBVKDZFQJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)17-11-6-4-10(5-7-11)8-12(14)13(15)16-3/h4-7,9,12H,8,14H2,1-3H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate?
methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate is sourced from PubChem (CID 131251632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).