methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate

C13H24N2O4 — CID 139401080

IUPACmethyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate
SMILESCOC(=O)CNCC1(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-9-13(5-6-13)8-14-7-10(16)18-4/h14H,5-9H2,1-4H3,(H,15,17)
InChIKeyPTVLSQRGGGLGRK-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.05
Rot. Bonds6

About methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate

methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate (PubChem CID 139401080) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate
PubChem CID139401080
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate
SMILESCOC(=O)CNCC1(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-9-13(5-6-13)8-14-7-10(16)18-4/h14H,5-9H2,1-4H3,(H,15,17)
InChIKeyPTVLSQRGGGLGRK-UHFFFAOYSA-N
XLogP1.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate with MolForge

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Related Compounds

methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]acetate
CID 118461025
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]acetate
CID 123437177
tert-butyl N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]carbamate
CID 115671394
tert-butyl N-[2-[(1-ethylcyclopropyl)methylamino]ethyl]carbamate
CID 103735451
methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540
methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate
CID 19883848
tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate
CID 115358654
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374
tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
CID 121207999
tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate
CID 119032070

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate?
The IUPAC name of methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate (CID 139401080) is methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate.
What is the SMILES notation for methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate?
The canonical SMILES for methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate is COC(=O)CNCC1(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate?
The InChIKey is PTVLSQRGGGLGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-9-13(5-6-13)8-14-7-10(16)18-4/h14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate?
methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate has a molecular weight of 272.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate is sourced from PubChem (CID 139401080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).