[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate

C22H22N2O3 — CID 7554365

IUPAC[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
SMILESC[C@@H](OC(=O)c1cccn1C)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2O3/c1-16(27-22(26)19-14-9-15-24(19)2)21(25)23-20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,20H,1-2H3,(H,23,25)/t16-/m1/s1
InChIKeyNKGNOGBHTQYXFX-MRXNPFEDSA-N
MW362.43 g/mol
LogP3.48
Rot. Bonds6

About [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate

[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate (PubChem CID 7554365) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
PubChem CID7554365
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
SMILESC[C@@H](OC(=O)c1cccn1C)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2O3/c1-16(27-22(26)19-14-9-15-24(19)2)21(25)23-20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,20H,1-2H3,(H,23,25)/t16-/m1/s1
InChIKeyNKGNOGBHTQYXFX-MRXNPFEDSA-N
XLogP3.48
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
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[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 4-cyanobenzoate
CID 8018489
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927150
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate
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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate (CID 7554365) is [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate is C[C@@H](OC(=O)c1cccn1C)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate?
The InChIKey is NKGNOGBHTQYXFX-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-16(27-22(26)19-14-9-15-24(19)2)21(25)23-20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-16,20H,1-2H3,(H,23,25)/t16-/m1/s1.
What are the key properties of [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate?
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 7554365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).