propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate

C13H19NO3 — CID 78936379

IUPACpropan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate
SMILESCC(C)OC(=O)COc1ccccc1[C@@H](C)N
InChIInChI=1S/C13H19NO3/c1-9(2)17-13(15)8-16-12-7-5-4-6-11(12)10(3)14/h4-7,9-10H,8,14H2,1-3H3/t10-/m1/s1
InChIKeyHEVDEHDFFRKLHN-SNVBAGLBSA-N
MW237.30 g/mol
LogP2.04
Rot. Bonds5

About propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate

propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate (PubChem CID 78936379) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate
PubChem CID78936379
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namepropan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate
SMILESCC(C)OC(=O)COc1ccccc1[C@@H](C)N
InChIInChI=1S/C13H19NO3/c1-9(2)17-13(15)8-16-12-7-5-4-6-11(12)10(3)14/h4-7,9-10H,8,14H2,1-3H3/t10-/m1/s1
InChIKeyHEVDEHDFFRKLHN-SNVBAGLBSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-(2-carbamoylphenoxy)acetate
CID 24633131
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylacetamide
CID 30118137
(1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine
CID 63366958
propan-2-yl 2-phenoxyacetate
CID 11367560
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371
2-[2-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
CID 43186044
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid
CID 115461339
2-[2-[(1S)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930426
propan-2-yl 4-[2-(2-propan-2-ylphenoxy)acetyl]oxybenzoate
CID 17160818
3-[2-[(1S)-1-aminoethyl]phenoxy]-N-methylpropanamide
CID 78936451

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate?
The IUPAC name of propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate (CID 78936379) is propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate is CC(C)OC(=O)COc1ccccc1[C@@H](C)N.
What is the InChIKey of propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate?
The InChIKey is HEVDEHDFFRKLHN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)17-13(15)8-16-12-7-5-4-6-11(12)10(3)14/h4-7,9-10H,8,14H2,1-3H3/t10-/m1/s1.
What are the key properties of propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate?
propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate has a molecular weight of 237.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-[(1R)-1-aminoethyl]phenoxy]acetate is sourced from PubChem (CID 78936379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).