benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

C24H23NO4 — CID 4283517

IUPACbenzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
SMILESO=C(NC(Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H23NO4/c26-23(28-17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)25-24(27)29-18-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,27)
InChIKeyILHGLRRAUKTLLN-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.27
Rot. Bonds8

About benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 4283517) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namebenzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID4283517
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Namebenzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
SMILESO=C(NC(Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C24H23NO4/c26-23(28-17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)25-24(27)29-18-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,27)
InChIKeyILHGLRRAUKTLLN-UHFFFAOYSA-N
XLogP4.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 13169996
(4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 3916130
benzyl (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoate
CID 14420293
benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 5289617
benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 6920101
(4-nitrophenyl)methyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 51905805
sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 23678665
methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
CID 12990920
(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 7010375
benzyl (2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 14367196
benzyl (2R)-3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate
CID 92526571

Frequently Asked Questions

What is the IUPAC name of benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate (CID 4283517) is benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate is O=C(NC(Cc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is ILHGLRRAUKTLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c26-23(28-17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)25-24(27)29-18-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,27).
What are the key properties of benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate?
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 389.45 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 4283517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).