2-aminoacetic acid;tert-butyl N-ethenylcarbamate

C9H18N2O4 — CID 87790423

IUPAC2-aminoacetic acid;tert-butyl N-ethenylcarbamate
SMILESC=CNC(=O)OC(C)(C)C.NCC(=O)O
InChIInChI=1S/C7H13NO2.C2H5NO2/c1-5-8-6(9)10-7(2,3)4;3-1-2(4)5/h5H,1H2,2-4H3,(H,8,9);1,3H2,(H,4,5)
InChIKeyBDOFOGMCERITOB-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.68
Rot. Bonds2

About 2-aminoacetic acid;tert-butyl N-ethenylcarbamate

2-aminoacetic acid;tert-butyl N-ethenylcarbamate (PubChem CID 87790423) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-aminoacetic acid;tert-butyl N-ethenylcarbamate.

Molecular Properties

Compound Name2-aminoacetic acid;tert-butyl N-ethenylcarbamate
PubChem CID87790423
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-aminoacetic acid;tert-butyl N-ethenylcarbamate
SMILESC=CNC(=O)OC(C)(C)C.NCC(=O)O
InChIInChI=1S/C7H13NO2.C2H5NO2/c1-5-8-6(9)10-7(2,3)4;3-1-2(4)5/h5H,1H2,2-4H3,(H,8,9);1,3H2,(H,4,5)
InChIKeyBDOFOGMCERITOB-UHFFFAOYSA-N
XLogP0.68
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 10443257
CID 58186857
CID 58186857
3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid
CID 53397925
1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate
CID 87085833
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 53398095
tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene
CID 144701048
tert-butyl N-prop-2-enoylcarbamate
CID 14817908
tert-butyl N-(4-amino-3-oxobutyl)carbamate
CID 96619413
tert-butyl N-(prop-2-enylamino)carbamate
CID 11240753
tert-butyl N-[(1E)-1-hydroxybuta-1,3-dienyl]carbamate
CID 154986813
2-(aminomethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(prop-2-enoxycarbonylamino)propanoic acid
CID 11078068
(2S)-2-[[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoyl]amino]but-3-enoic acid
CID 138546161

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;tert-butyl N-ethenylcarbamate?
The IUPAC name of 2-aminoacetic acid;tert-butyl N-ethenylcarbamate (CID 87790423) is 2-aminoacetic acid;tert-butyl N-ethenylcarbamate.
What is the SMILES notation for 2-aminoacetic acid;tert-butyl N-ethenylcarbamate?
The canonical SMILES for 2-aminoacetic acid;tert-butyl N-ethenylcarbamate is C=CNC(=O)OC(C)(C)C.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;tert-butyl N-ethenylcarbamate?
The InChIKey is BDOFOGMCERITOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H5NO2/c1-5-8-6(9)10-7(2,3)4;3-1-2(4)5/h5H,1H2,2-4H3,(H,8,9);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;tert-butyl N-ethenylcarbamate?
2-aminoacetic acid;tert-butyl N-ethenylcarbamate has a molecular weight of 218.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;tert-butyl N-ethenylcarbamate is sourced from PubChem (CID 87790423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).