methyl 4-[(2R)-2-aminopropyl]benzoate

C11H15NO2 — CID 22823241

IUPACmethyl 4-[(2R)-2-aminopropyl]benzoate
SMILESCOC(=O)c1ccc(C[C@@H](C)N)cc1
InChIInChI=1S/C11H15NO2/c1-8(12)7-9-3-5-10(6-4-9)11(13)14-2/h3-6,8H,7,12H2,1-2H3/t8-/m1/s1
InChIKeyRHBGWZSBVYGMNY-MRVPVSSYSA-N
MW193.25 g/mol
LogP1.36
Rot. Bonds3

About methyl 4-[(2R)-2-aminopropyl]benzoate

methyl 4-[(2R)-2-aminopropyl]benzoate (PubChem CID 22823241) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 4-[(2R)-2-aminopropyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2R)-2-aminopropyl]benzoate
PubChem CID22823241
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 4-[(2R)-2-aminopropyl]benzoate
SMILESCOC(=O)c1ccc(C[C@@H](C)N)cc1
InChIInChI=1S/C11H15NO2/c1-8(12)7-9-3-5-10(6-4-9)11(13)14-2/h3-6,8H,7,12H2,1-2H3/t8-/m1/s1
InChIKeyRHBGWZSBVYGMNY-MRVPVSSYSA-N
XLogP1.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-methoxypropyl)benzoate
CID 57294671
4-(2-aminopropyl)-N-propan-2-ylbenzamide
CID 170891728
ethyl 4-[4-(2-aminopropyl)phenyl]benzoate
CID 14368632
methyl 4-(2-methyl-3-oxopropyl)benzoate
CID 71336358
2-bromo-3-(4-methoxycarbonylphenyl)propanoic acid
CID 150848084
methyl 4-(aminomethyl)benzoate;molecular hydrogen
CID 143345470
dimethyl (2R,3S)-2-hydroxy-3-[(4-methoxycarbonylphenyl)methyl]butanedioate
CID 11381321
tert-butyl 4-[4-(2-aminopropyl)phenyl]benzoate;ethane
CID 143794489
methyl 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]benzoate
CID 90976006
methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate
CID 86053961
methanol;methyl 4-[(1S)-1-aminoethyl]benzoate
CID 143623617
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-2-aminopropyl]benzoate?
The IUPAC name of methyl 4-[(2R)-2-aminopropyl]benzoate (CID 22823241) is methyl 4-[(2R)-2-aminopropyl]benzoate.
What is the SMILES notation for methyl 4-[(2R)-2-aminopropyl]benzoate?
The canonical SMILES for methyl 4-[(2R)-2-aminopropyl]benzoate is COC(=O)c1ccc(C[C@@H](C)N)cc1.
What is the InChIKey of methyl 4-[(2R)-2-aminopropyl]benzoate?
The InChIKey is RHBGWZSBVYGMNY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(12)7-9-3-5-10(6-4-9)11(13)14-2/h3-6,8H,7,12H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl 4-[(2R)-2-aminopropyl]benzoate?
methyl 4-[(2R)-2-aminopropyl]benzoate has a molecular weight of 193.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-2-aminopropyl]benzoate is sourced from PubChem (CID 22823241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).