2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C9H15NO4 — CID 18784338

IUPAC2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESC=CN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C9H15NO4/c1-5-10(6-7(11)12)8(13)14-9(2,3)4/h5H,1,6H2,2-4H3,(H,11,12)
InChIKeyIUDCOFLCWUPPMC-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.45
Rot. Bonds3

About 2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 18784338) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID18784338
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESC=CN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C9H15NO4/c1-5-10(6-7(11)12)8(13)14-9(2,3)4/h5H,1,6H2,2-4H3,(H,11,12)
InChIKeyIUDCOFLCWUPPMC-UHFFFAOYSA-N
XLogP1.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonyl-[(2S)-pent-4-en-2-yl]amino]acetic acid
CID 134594143
tert-butyl N-ethenyl-N-[2-(N-methylanilino)ethyl]carbamate
CID 15316571
2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid
CID 121439864
5-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 102278114
2-[3-chloroprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 165350727
tert-butyl N-[(E)-3-oxobut-1-enyl]-N-prop-2-enylcarbamate
CID 11356552
tert-butyl N-ethenyl-N-propan-2-ylcarbamate
CID 88918328
acetylene;2-[(2-fluoro-2-phosphanylpropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 142195127
2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 91184991
2-[formyl-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxobut-3-en-2-yl]amino]acetic acid
CID 140596423
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 15666718

Frequently Asked Questions

What is the IUPAC name of 2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 18784338) is 2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is C=CN(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is IUDCOFLCWUPPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-5-10(6-7(11)12)8(13)14-9(2,3)4/h5H,1,6H2,2-4H3,(H,11,12).
What are the key properties of 2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 201.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 18784338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).