[(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate

C14H20N2O3 — CID 2514955

IUPAC[(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)O[C@@H](C)C(N)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-4-16(5-2)12-8-6-11(7-9-12)14(18)19-10(3)13(15)17/h6-10H,4-5H2,1-3H3,(H2,15,17)/t10-/m0/s1
InChIKeyRIDCBXGHNDAMMZ-JTQLQIEISA-N
MW264.33 g/mol
LogP1.56
Rot. Bonds6

About [(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate

[(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate (PubChem CID 2514955) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate
PubChem CID2514955
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)O[C@@H](C)C(N)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-4-16(5-2)12-8-6-11(7-9-12)14(18)19-10(3)13(15)17/h6-10H,4-5H2,1-3H3,(H2,15,17)/t10-/m0/s1
InChIKeyRIDCBXGHNDAMMZ-JTQLQIEISA-N
XLogP1.56
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(1-amino-1-oxopropan-2-yl) benzene-1,4-dicarboxylate
CID 24671569
[(2S)-1-amino-1-oxopropan-2-yl] 4-butoxybenzoate
CID 2585400
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate
CID 55417663
propan-2-yl 4-(dipropylamino)benzoate
CID 139770172
(1-amino-1-oxopropan-2-yl) 4-(2-methylpropyl)benzoate
CID 47006811
[(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133591
2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993
(1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate
CID 46789274
[(2R)-1-amino-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 2612532
(1-amino-1-oxopropan-2-yl) 4-(difluoromethoxy)benzoate
CID 18076582
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-(diethylamino)benzoate
CID 2514923
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 4-(diethylamino)benzoate
CID 25354455

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate (CID 2514955) is [(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate is CCN(CC)c1ccc(C(=O)O[C@@H](C)C(N)=O)cc1.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate?
The InChIKey is RIDCBXGHNDAMMZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-16(5-2)12-8-6-11(7-9-12)14(18)19-10(3)13(15)17/h6-10H,4-5H2,1-3H3,(H2,15,17)/t10-/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate?
[(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate has a molecular weight of 264.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate is sourced from PubChem (CID 2514955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).