benzyl 2-(1-hydroxypropan-2-ylamino)benzoate

C17H19NO3 — CID 70188681

IUPACbenzyl 2-(1-hydroxypropan-2-ylamino)benzoate
SMILESCC(CO)Nc1ccccc1C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-13(11-19)18-16-10-6-5-9-15(16)17(20)21-12-14-7-3-2-4-8-14/h2-10,13,18-19H,11-12H2,1H3
InChIKeyBZPOLVLSHDIRNL-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.84
Rot. Bonds6

About benzyl 2-(1-hydroxypropan-2-ylamino)benzoate

benzyl 2-(1-hydroxypropan-2-ylamino)benzoate (PubChem CID 70188681) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is benzyl 2-(1-hydroxypropan-2-ylamino)benzoate.

Molecular Properties

Compound Namebenzyl 2-(1-hydroxypropan-2-ylamino)benzoate
PubChem CID70188681
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namebenzyl 2-(1-hydroxypropan-2-ylamino)benzoate
SMILESCC(CO)Nc1ccccc1C(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-13(11-19)18-16-10-6-5-9-15(16)17(20)21-12-14-7-3-2-4-8-14/h2-10,13,18-19H,11-12H2,1H3
InChIKeyBZPOLVLSHDIRNL-UHFFFAOYSA-N
XLogP2.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[(2-amino-2-oxoethyl)amino]benzoate
CID 19104093
benzyl 2-[[3-methoxy-3-oxo-1-(2,4,5-trifluorophenyl)propyl]amino]benzoate
CID 69115077
bis(4-methylpentan-2-yl) benzene-1,2-dicarboxylate;dibenzyl benzene-1,2-dicarboxylate
CID 175392349
benzyl 2-(dimethylamino)benzoate
CID 58143131
ethyl 2-(hexan-2-ylamino)benzoate
CID 43774647
benzyl 2-[(2-cyanoacetyl)amino]benzoate
CID 168523295
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
ethyl 2-(1-phenylethylamino)benzoate;hydrochloride
CID 172883208
(4-carbamoylphenyl)methyl 2-(methylamino)benzoate
CID 18136279
ethyl 2-[(2-methyl-3-phenylpropanoyl)amino]benzoate
CID 110356214
2-(butan-2-ylamino)benzoic acid
CID 19609454

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(1-hydroxypropan-2-ylamino)benzoate?
The IUPAC name of benzyl 2-(1-hydroxypropan-2-ylamino)benzoate (CID 70188681) is benzyl 2-(1-hydroxypropan-2-ylamino)benzoate.
What is the SMILES notation for benzyl 2-(1-hydroxypropan-2-ylamino)benzoate?
The canonical SMILES for benzyl 2-(1-hydroxypropan-2-ylamino)benzoate is CC(CO)Nc1ccccc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(1-hydroxypropan-2-ylamino)benzoate?
The InChIKey is BZPOLVLSHDIRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(11-19)18-16-10-6-5-9-15(16)17(20)21-12-14-7-3-2-4-8-14/h2-10,13,18-19H,11-12H2,1H3.
What are the key properties of benzyl 2-(1-hydroxypropan-2-ylamino)benzoate?
benzyl 2-(1-hydroxypropan-2-ylamino)benzoate has a molecular weight of 285.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(1-hydroxypropan-2-ylamino)benzoate is sourced from PubChem (CID 70188681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).