[2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate

C26H35N3O6 — CID 18665277

IUPAC[2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate
SMILESCC(C)(C)OC(=O)NCC(COC(=O)[C@H](N)Cc1ccccc1)OC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C26H35N3O6/c1-26(2,3)35-25(32)29-16-20(34-24(31)22(28)15-19-12-8-5-9-13-19)17-33-23(30)21(27)14-18-10-6-4-7-11-18/h4-13,20-22H,14-17,27-28H2,1-3H3,(H,29,32)/t20?,21-,22-/m1/s1
InChIKeyYTNGRTJSQZZONZ-HRUVVLKGSA-N
MW485.58 g/mol
LogP2.11
Rot. Bonds11

About [2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate

[2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate (PubChem CID 18665277) has the molecular formula C26H35N3O6 and a molecular weight of 485.58 g/mol. Its IUPAC name is [2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate.

Molecular Properties

Compound Name[2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate
PubChem CID18665277
Molecular FormulaC26H35N3O6
Molecular Weight485.58 g/mol
Exact Mass485.25
IUPAC Name[2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate
SMILESCC(C)(C)OC(=O)NCC(COC(=O)[C@H](N)Cc1ccccc1)OC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C26H35N3O6/c1-26(2,3)35-25(32)29-16-20(34-24(31)22(28)15-19-12-8-5-9-13-19)17-33-23(30)21(27)14-18-10-6-4-7-11-18/h4-13,20-22H,14-17,27-28H2,1-3H3,(H,29,32)/t20?,21-,22-/m1/s1
InChIKeyYTNGRTJSQZZONZ-HRUVVLKGSA-N
XLogP2.11
TPSA142.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze [2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;hydrochloride
CID 122173606
methyl (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10565656
methyl (2S)-2-amino-3-phenylpropanoate;2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetic acid
CID 131713324
methyl (2S)-2-amino-3-phenylpropanoate;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 131711306
1-phenylethyl (2R)-2-amino-3-phenylpropanoate
CID 104902256
[2-benzoyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 3,4,5-trihydroxybenzoate
CID 59350295
[1-benzoyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl] 3,4,5-trihydroxybenzoate
CID 118343579
(2S,3R)-3-benzyl-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 57312616
tert-butyl 2-amino-3-[4-(benzylamino)phenyl]propanoate
CID 57170607
2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]phenyl]propanoic acid
CID 154779860
tert-butyl N-(2-benzyl-3-oxohexyl)carbamate
CID 11208944
benzyl 2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 70245619

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate?
The IUPAC name of [2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate (CID 18665277) is [2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate.
What is the SMILES notation for [2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate?
The canonical SMILES for [2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate is CC(C)(C)OC(=O)NCC(COC(=O)[C@H](N)Cc1ccccc1)OC(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of [2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate?
The InChIKey is YTNGRTJSQZZONZ-HRUVVLKGSA-N. The full InChI is InChI=1S/C26H35N3O6/c1-26(2,3)35-25(32)29-16-20(34-24(31)22(28)15-19-12-8-5-9-13-19)17-33-23(30)21(27)14-18-10-6-4-7-11-18/h4-13,20-22H,14-17,27-28H2,1-3H3,(H,29,32)/t20?,21-,22-/m1/s1.
What are the key properties of [2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate?
[2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate has a molecular weight of 485.58 g/mol, XLogP of 2.11, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-amino-3-phenylpropanoyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] (2R)-2-amino-3-phenylpropanoate is sourced from PubChem (CID 18665277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).