ethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C16H23NO4 — CID 10565655

IUPACethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO4/c1-5-20-14(18)12-17(15(19)21-16(2,3)4)11-13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3
InChIKeySVXBDJYYFFBQTK-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.99
Rot. Bonds5

About ethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

ethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 10565655) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID10565655
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H23NO4/c1-5-20-14(18)12-17(15(19)21-16(2,3)4)11-13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3
InChIKeySVXBDJYYFFBQTK-UHFFFAOYSA-N
XLogP2.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5060109
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Tert-butyl N-benzyl-N-(2-hydroxyethyl)carbamate
CID 10753247
N-(3-Methoxy-2-methyl-3-oxopropyl)-N-(phenylmethyl)-beta-alanine ethyl ester
CID 98098
tert-butyl N-benzyl-N-[3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl]carbamate
CID 10648052
Benzyl-dimethyl-(2-oxo-2-tetradecoxyethyl)azanium bromide
CID 137635292
3-[Benzyl-(2-ethoxycarbonyl-ethyl)-amino]-propionic acid ethyl ester
CID 81354
Pyrrolidinium, 3-(acetyloxy)-1-methyl-1-(phenylmethyl)-, bromide (1:1)
CID 65515
3-(Benzyl(tert-butoxycarbonyl)amino)propanoic acid
CID 2760953
methyl (2S)-2-[benzyl-[[(2R)-1-ethoxy-1-oxopropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]amino]-3-methylbutanoate
CID 42628461
methyl (2R)-2-[benzyl-[[(2R)-1-ethoxy-1-oxopropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]amino]-3-methylbutanoate
CID 53315653

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of ethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 10565655) is ethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is CCOC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is SVXBDJYYFFBQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-20-14(18)12-17(15(19)21-16(2,3)4)11-13-9-7-6-8-10-13/h6-10H,5,11-12H2,1-4H3.
What are the key properties of ethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
ethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 293.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 10565655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).