[(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate

C14H19NO5 — CID 102239022

IUPAC[(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate
SMILESCCOC(=O)N[C@@H](COC(=O)OCC)c1ccccc1
InChIInChI=1S/C14H19NO5/c1-3-18-13(16)15-12(10-20-14(17)19-4-2)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyRPYOLZGTVVDDGF-LBPRGKRZSA-N
MW281.31 g/mol
LogP2.65
Rot. Bonds6

About [(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate

[(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate (PubChem CID 102239022) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is [(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate.

Molecular Properties

Compound Name[(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate
PubChem CID102239022
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name[(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate
SMILESCCOC(=O)N[C@@H](COC(=O)OCC)c1ccccc1
InChIInChI=1S/C14H19NO5/c1-3-18-13(16)15-12(10-20-14(17)19-4-2)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyRPYOLZGTVVDDGF-LBPRGKRZSA-N
XLogP2.65
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
3-(ethoxycarbonylamino)-3-phenylpropanoic acid;hydrochloride
CID 174330958
ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate
CID 126003498
ethoxycarbonyl (2S)-2-(ethoxycarbonylamino)-2-phenylacetate
CID 102234074
ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate
CID 7315555
1-O-ethyl 4-O-[(2R)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate
CID 126492381
ethyl N-[(1R)-3-(2-methoxyethylamino)-3-oxo-1-phenylpropyl]carbamate
CID 126007455
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
CID 50917501
ethyl N-[cyano(phenyl)methyl]carbamate
CID 60763548
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate?
The IUPAC name of [(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate (CID 102239022) is [(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate.
What is the SMILES notation for [(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate?
The canonical SMILES for [(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate is CCOC(=O)N[C@@H](COC(=O)OCC)c1ccccc1.
What is the InChIKey of [(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate?
The InChIKey is RPYOLZGTVVDDGF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-18-13(16)15-12(10-20-14(17)19-4-2)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,16)/t12-/m0/s1.
What are the key properties of [(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate?
[(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate has a molecular weight of 281.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate is sourced from PubChem (CID 102239022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).