methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate

C14H26N2O4 — CID 104578296

IUPACmethyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
SMILESCOC(=O)C(C)NC(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H26N2O4/c1-9(12(17)19-5)16-11(10-6-7-10)8-15-13(18)20-14(2,3)4/h9-11,16H,6-8H2,1-5H3,(H,15,18)
InChIKeyRAFPWYPGBJOJRT-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.44
Rot. Bonds6

About methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate

methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate (PubChem CID 104578296) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
PubChem CID104578296
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
SMILESCOC(=O)C(C)NC(CNC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H26N2O4/c1-9(12(17)19-5)16-11(10-6-7-10)8-15-13(18)20-14(2,3)4/h9-11,16H,6-8H2,1-5H3,(H,15,18)
InChIKeyRAFPWYPGBJOJRT-UHFFFAOYSA-N
XLogP1.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate with MolForge

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Related Compounds

methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate
CID 104578291
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
CID 107252527
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
CID 107252504
methyl (2S)-2-(1-cyclopropylpropylamino)propanoate
CID 64920130
tert-butyl N-[2-[1-(5-bromofuran-2-yl)ethylamino]-2-cyclopropylethyl]carbamate
CID 107093722
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667
tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate
CID 107254500
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-cyclopropylethyl]carbamate
CID 103785726

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate?
The IUPAC name of methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate (CID 104578296) is methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate?
The canonical SMILES for methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate is COC(=O)C(C)NC(CNC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate?
The InChIKey is RAFPWYPGBJOJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9(12(17)19-5)16-11(10-6-7-10)8-15-13(18)20-14(2,3)4/h9-11,16H,6-8H2,1-5H3,(H,15,18).
What are the key properties of methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate?
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate has a molecular weight of 286.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate is sourced from PubChem (CID 104578296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).