(2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid

C15H20N2O6 — CID 134841276

IUPAC(2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid
SMILESCCOC(=O)NN(C(=O)OCC)[C@@](C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O6/c1-4-22-13(20)16-17(14(21)23-5-2)15(3,12(18)19)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3,(H,16,20)(H,18,19)/t15-/m1/s1
InChIKeyQHXFXLKZZIOIFU-OAHLLOKOSA-N
MW324.33 g/mol
LogP2.11
Rot. Bonds5

About (2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid

(2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid (PubChem CID 134841276) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is (2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid
PubChem CID134841276
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name(2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid
SMILESCCOC(=O)NN(C(=O)OCC)[C@@](C)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O6/c1-4-22-13(20)16-17(14(21)23-5-2)15(3,12(18)19)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3,(H,16,20)(H,18,19)/t15-/m1/s1
InChIKeyQHXFXLKZZIOIFU-OAHLLOKOSA-N
XLogP2.11
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(ethoxycarbonylamino)-N-(2-phenylpropan-2-yl)carbamate
CID 71506938
ethyl N-(ethoxycarbonylamino)-N-(1-oxo-2-phenylpropan-2-yl)carbamate
CID 102159157
ethyl N-(ethoxycarbonylamino)-N-[(2S)-2-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 139246635
ethyl N-(ethoxycarbonylamino)-N-(2-methyl-3-oxopentan-2-yl)carbamate
CID 11254332
methyl 2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-(4-methoxyphenyl)-2-phenylsulfanylacetate
CID 16726971
ethyl N-(2-cyano-1-oxo-1,3-diphenylpropan-2-yl)-N-(ethoxycarbonylamino)carbamate
CID 134941137
ethyl N-[benzyl(tert-butyl)amino]carbamate
CID 142916028
ethyl (2S)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-oxo-2-phenylpropanoate
CID 102590683
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
ethyl 2-methyl-3-oxo-3-phenyl-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propanoate
CID 132596281
ethyl N-(ethoxycarbonylamino)-N-(1-oxo-1-phenylpropan-2-yl)carbamate
CID 12734045
2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid?
The IUPAC name of (2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid (CID 134841276) is (2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid is CCOC(=O)NN(C(=O)OCC)[C@@](C)(C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid?
The InChIKey is QHXFXLKZZIOIFU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-4-22-13(20)16-17(14(21)23-5-2)15(3,12(18)19)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3,(H,16,20)(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid?
(2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid has a molecular weight of 324.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 134841276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).