[(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate

C16H15NO4 — CID 7133591

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
SMILESC[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(N)=O
InChIInChI=1S/C16H15NO4/c1-10(15(17)19)21-16(20)13-4-2-11(3-5-13)12-6-8-14(18)9-7-12/h2-10,18H,1H3,(H2,17,19)/t10-/m1/s1
InChIKeyQRJGVRSIDXSFSU-SNVBAGLBSA-N
MW285.30 g/mol
LogP2.09
Rot. Bonds4

About [(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate

[(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate (PubChem CID 7133591) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
PubChem CID7133591
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
SMILESC[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(N)=O
InChIInChI=1S/C16H15NO4/c1-10(15(17)19)21-16(20)13-4-2-11(3-5-13)12-6-8-14(18)9-7-12/h2-10,18H,1H3,(H2,17,19)/t10-/m1/s1
InChIKeyQRJGVRSIDXSFSU-SNVBAGLBSA-N
XLogP2.09
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(1-amino-1-oxopropan-2-yl) benzene-1,4-dicarboxylate
CID 24671569
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133584
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 18091239
(1-amino-1-oxopropan-2-yl) 4-(2-methylpropyl)benzoate
CID 47006811
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133499
bis(propan-2-yl 4-hydroxybenzoate);zinc
CID 122130630
zinc propan-2-yl 4-hydroxybenzoate
CID 54602710
[(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-amino-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275011
[(2S)-1-amino-1-oxopropan-2-yl] 4-butoxybenzoate
CID 2585400
[(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate
CID 2514955

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate (CID 7133591) is [(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate is C[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate?
The InChIKey is QRJGVRSIDXSFSU-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10(15(17)19)21-16(20)13-4-2-11(3-5-13)12-6-8-14(18)9-7-12/h2-10,18H,1H3,(H2,17,19)/t10-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate?
[(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate has a molecular weight of 285.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 7133591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).