[2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate

C26H28N2O4 — CID 102020431

IUPAC[2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate
SMILESN[C@H](Cc1ccccc1)C(=O)OCc1ccccc1COC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C26H28N2O4/c27-23(15-19-9-3-1-4-10-19)25(29)31-17-21-13-7-8-14-22(21)18-32-26(30)24(28)16-20-11-5-2-6-12-20/h1-14,23-24H,15-18,27-28H2/t23-,24-/m1/s1
InChIKeyIXHZBOWXRMWLEG-DNQXCXABSA-N
MW432.52 g/mol
LogP2.91
Rot. Bonds10

About [2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate

[2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate (PubChem CID 102020431) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is [2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Name[2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate
PubChem CID102020431
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name[2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate
SMILESN[C@H](Cc1ccccc1)C(=O)OCc1ccccc1COC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C26H28N2O4/c27-23(15-19-9-3-1-4-10-19)25(29)31-17-21-13-7-8-14-22(21)18-32-26(30)24(28)16-20-11-5-2-6-12-20/h1-14,23-24H,15-18,27-28H2/t23-,24-/m1/s1
InChIKeyIXHZBOWXRMWLEG-DNQXCXABSA-N
XLogP2.91
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

naphthalen-1-ylmethyl (2S)-2-amino-3-phenylpropanoate;hydrochloride
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CID 175525029
CID 175525029
benzyl (2S)-2-amino-3-(2-methylphenyl)propanoate
CID 139716301
(3-aminophenyl)methyl (2S)-2-amino-3-phenylpropanoate
CID 57184101
benzyl (2S)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
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benzyl 2-amino-3-(2-bromophenyl)propanoate
CID 23133270
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate
CID 58112359
thiophen-2-ylmethyl (2R)-2-amino-3-phenylpropanoate
CID 94230493
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
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2-bromoethyl (2S)-2-amino-3-phenylpropanoate
CID 14217156

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate?
The IUPAC name of [2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate (CID 102020431) is [2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate.
What is the SMILES notation for [2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate?
The canonical SMILES for [2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate is N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1COC(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of [2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate?
The InChIKey is IXHZBOWXRMWLEG-DNQXCXABSA-N. The full InChI is InChI=1S/C26H28N2O4/c27-23(15-19-9-3-1-4-10-19)25(29)31-17-21-13-7-8-14-22(21)18-32-26(30)24(28)16-20-11-5-2-6-12-20/h1-14,23-24H,15-18,27-28H2/t23-,24-/m1/s1.
What are the key properties of [2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate?
[2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate has a molecular weight of 432.52 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 102020431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).