methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane

C11H23NO4 — CID 144755686

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
SMILESCCC.COC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO4.C3H8/c1-8(2,3)13-7(11)9-5-6(10)12-4;1-3-2/h5H2,1-4H3,(H,9,11);3H2,1-2H3
InChIKeyHPZKUJYAIVWJQN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.10
Rot. Bonds2

About methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane (PubChem CID 144755686) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
PubChem CID144755686
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
SMILESCCC.COC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO4.C3H8/c1-8(2,3)13-7(11)9-5-6(10)12-4;1-3-2/h5H2,1-4H3,(H,9,11);3H2,1-2H3
InChIKeyHPZKUJYAIVWJQN-UHFFFAOYSA-N
XLogP2.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(methoxycarbonylamino)acetate
CID 14133519
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]acetate
CID 123437177
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
methyl 2-[[(2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoyl]amino]acetate
CID 143658864
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 23698633
methyl 2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoyl]amino]acetate
CID 166903673
[(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386709
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate
CID 139401080
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
CID 89001171
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane (CID 144755686) is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane is CCC.COC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane?
The InChIKey is HPZKUJYAIVWJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4.C3H8/c1-8(2,3)13-7(11)9-5-6(10)12-4;1-3-2/h5H2,1-4H3,(H,9,11);3H2,1-2H3.
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane?
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane has a molecular weight of 233.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane is sourced from PubChem (CID 144755686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).