2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C15H21NO4 — CID 11851409

IUPAC2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OCCc1ccccc1
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16-11-13(17)19-10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,18)
InChIKeyQSMKLPPESKOEGY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.30
Rot. Bonds5

About 2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 11851409) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID11851409
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OCCc1ccccc1
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16-11-13(17)19-10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,18)
InChIKeyQSMKLPPESKOEGY-UHFFFAOYSA-N
XLogP2.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl]phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11004906
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
CID 145259972
tert-butyl carbamate;2-phenylethyl carbamate
CID 142108258
tert-butyl N-[3-iodo-2-methyl-2-(2-phenylethoxy)propyl]carbamate
CID 165493506
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;3-methoxyprop-1-ene
CID 153402053
2-(hydrazinecarbonyloxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 135302819
[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386708
tert-butyl N-[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]carbamate
CID 108916974
tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate
CID 107253966
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenylbutanoate
CID 156758863
tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate
CID 10382434

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of 2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 11851409) is 2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for 2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for 2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)NCC(=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is QSMKLPPESKOEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16-11-13(17)19-10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,18).
What are the key properties of 2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 279.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 11851409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).