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

C12H25NO4 — CID 142813889

IUPACmethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
SMILESCCC.COC(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4.C3H8/c1-9(2,3)14-8(12)10(4)6-7(11)13-5;1-3-2/h6H2,1-5H3;3H2,1-2H3
InChIKeyHDMXWOYDLLKNBI-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.44
Rot. Bonds2

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

methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane (PubChem CID 142813889) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane.

Molecular Properties

Compound Namemethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
PubChem CID142813889
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Namemethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
SMILESCCC.COC(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4.C3H8/c1-9(2,3)14-8(12)10(4)6-7(11)13-5;1-3-2/h6H2,1-5H3;3H2,1-2H3
InChIKeyHDMXWOYDLLKNBI-UHFFFAOYSA-N
XLogP2.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[methoxycarbonyl(methyl)amino]acetate;hydrochloride
CID 174628229
tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate
CID 56698929
dimethyl 2-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylidene]propanedioate
CID 54691513
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate
CID 84681796
methyl 8-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octanoate
CID 139703112
tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
CID 91462214
methyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67008317
2-[heptyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetic acid;methyl 2-[heptyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetate
CID 160842224
methyl 2-[methyl(propanoyl)amino]acetate
CID 43407357
(2,5-dihydroxypyrrol-1-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 54227808
ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane
CID 143023750

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane?
The IUPAC name of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane (CID 142813889) is methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane.
What is the SMILES notation for methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane?
The canonical SMILES for methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane is CCC.COC(=O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane?
The InChIKey is HDMXWOYDLLKNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4.C3H8/c1-9(2,3)14-8(12)10(4)6-7(11)13-5;1-3-2/h6H2,1-5H3;3H2,1-2H3.
What are the key properties of methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane?
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane has a molecular weight of 247.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane is sourced from PubChem (CID 142813889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).