[(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate

C14H19NO5 — CID 2600269

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)O[C@H](C)C(N)=O)cc1OC
InChIInChI=1S/C14H19NO5/c1-4-7-19-11-6-5-10(8-12(11)18-3)14(17)20-9(2)13(15)16/h5-6,8-9H,4,7H2,1-3H3,(H2,15,16)/t9-/m1/s1
InChIKeyBAMSPLCYCRXSBG-SECBINFHSA-N
MW281.31 g/mol
LogP1.51
Rot. Bonds7

About [(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate

[(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate (PubChem CID 2600269) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate
PubChem CID2600269
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)O[C@H](C)C(N)=O)cc1OC
InChIInChI=1S/C14H19NO5/c1-4-7-19-11-6-5-10(8-12(11)18-3)14(17)20-9(2)13(15)16/h5-6,8-9H,4,7H2,1-3H3,(H2,15,16)/t9-/m1/s1
InChIKeyBAMSPLCYCRXSBG-SECBINFHSA-N
XLogP1.51
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 2592042
[(2S)-1-amino-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 2667445
[(2S)-1-amino-1-oxopropan-2-yl] 4-butoxy-3-ethoxybenzoate
CID 2540833
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237
propan-2-yl 4-decoxy-3-methoxybenzoate
CID 170945925
propan-2-yl 3-methoxy-4-octadecoxybenzoate
CID 170945921
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 2667441
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3-methoxy-4-propoxybenzoate
CID 7278224
propyl 3-methoxy-4-pentoxybenzoate
CID 82186336
propyl 4-ethoxy-3-methoxybenzoate
CID 78907992
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 8740355
[(2R)-1-amino-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572150

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate (CID 2600269) is [(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate is CCCOc1ccc(C(=O)O[C@H](C)C(N)=O)cc1OC.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate?
The InChIKey is BAMSPLCYCRXSBG-SECBINFHSA-N. The full InChI is InChI=1S/C14H19NO5/c1-4-7-19-11-6-5-10(8-12(11)18-3)14(17)20-9(2)13(15)16/h5-6,8-9H,4,7H2,1-3H3,(H2,15,16)/t9-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate?
[(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate has a molecular weight of 281.31 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate is sourced from PubChem (CID 2600269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).