[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate

C12H15NO4 — CID 9413093

IUPAC[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate
SMILESCCNC(=O)[C@@H](C)OC(=O)c1cccc(O)c1
InChIInChI=1S/C12H15NO4/c1-3-13-11(15)8(2)17-12(16)9-5-4-6-10(14)7-9/h4-8,14H,3H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyMJYSFLQQHOTAPU-MRVPVSSYSA-N
MW237.25 g/mol
LogP1.07
Rot. Bonds4

About [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate (PubChem CID 9413093) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate
PubChem CID9413093
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate
SMILESCCNC(=O)[C@@H](C)OC(=O)c1cccc(O)c1
InChIInChI=1S/C12H15NO4/c1-3-13-11(15)8(2)17-12(16)9-5-4-6-10(14)7-9/h4-8,14H,3H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyMJYSFLQQHOTAPU-MRVPVSSYSA-N
XLogP1.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-iodobenzoate
CID 9416986
(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate
CID 24687453
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7483610
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7483604
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 2562979
[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 41291596
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7890211
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 2503937
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7478364
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 41197855
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 7483574
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 9417711

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
The IUPAC name of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate (CID 9413093) is [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate.
What is the SMILES notation for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
The canonical SMILES for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate is CCNC(=O)[C@@H](C)OC(=O)c1cccc(O)c1.
What is the InChIKey of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
The InChIKey is MJYSFLQQHOTAPU-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-13-11(15)8(2)17-12(16)9-5-4-6-10(14)7-9/h4-8,14H,3H2,1-2H3,(H,13,15)/t8-/m1/s1.
What are the key properties of [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate?
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate has a molecular weight of 237.25 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate is sourced from PubChem (CID 9413093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).