[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C16H21NO4 — CID 5386708

IUPAC[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C16H21NO4/c1-16(2,3)21-15(19)17-12-14(18)20-11-7-10-13-8-5-4-6-9-13/h4-10H,11-12H2,1-3H3,(H,17,19)/b10-7+
InChIKeyASNHBADSFPVWHC-JXMROGBWSA-N
MW291.35 g/mol
LogP2.77
Rot. Bonds5

About [(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 5386708) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID5386708
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C16H21NO4/c1-16(2,3)21-15(19)17-12-14(18)20-11-7-10-13-8-5-4-6-9-13/h4-10H,11-12H2,1-3H3,(H,17,19)/b10-7+
InChIKeyASNHBADSFPVWHC-JXMROGBWSA-N
XLogP2.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386709
[(E)-3-phenylprop-2-enyl] 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 147592214
[(E)-3-phenylprop-2-enyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364237
2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11851409
[(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate
CID 164678558
2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 87269499
[(E)-3-phenylprop-2-enyl] 2-(furan-2-carbonylamino)acetate
CID 46791465
[(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11426223
3-phenylprop-2-enyl butanoate;[(E)-3-phenylprop-2-enyl] butanoate
CID 89428693
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;3-methoxyprop-1-ene
CID 153402053
tert-butyl N-[(2Z)-2-amino-2-[(E)-benzylidenehydrazinylidene]ethyl]carbamate
CID 54672196
ethyl (2E,4E)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-phenylpenta-2,4-dienoate
CID 11587986

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 5386708) is [(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)NCC(=O)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is ASNHBADSFPVWHC-JXMROGBWSA-N. The full InChI is InChI=1S/C16H21NO4/c1-16(2,3)21-15(19)17-12-14(18)20-11-7-10-13-8-5-4-6-9-13/h4-10H,11-12H2,1-3H3,(H,17,19)/b10-7+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 291.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 5386708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).