[1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane

C20H40N2O5 — CID 143389951

IUPAC[1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane
SMILESCC.CC(=O)OC(CNC(=O)OC(C)(C)C)C(=O)NC1CC1.CCC(C)C
InChIInChI=1S/C13H22N2O5.C5H12.C2H6/c1-8(16)19-10(11(17)15-9-5-6-9)7-14-12(18)20-13(2,3)4;1-4-5(2)3;1-2/h9-10H,5-7H2,1-4H3,(H,14,18)(H,15,17);5H,4H2,1-3H3;1-2H3
InChIKeyRJDBBJQGLFTYTD-UHFFFAOYSA-N
MW388.55 g/mol
LogP3.80
Rot. Bonds6

About [1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane

[1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane (PubChem CID 143389951) has the molecular formula C20H40N2O5 and a molecular weight of 388.55 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane
PubChem CID143389951
Molecular FormulaC20H40N2O5
Molecular Weight388.55 g/mol
Exact Mass388.29
IUPAC Name[1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane
SMILESCC.CC(=O)OC(CNC(=O)OC(C)(C)C)C(=O)NC1CC1.CCC(C)C
InChIInChI=1S/C13H22N2O5.C5H12.C2H6/c1-8(16)19-10(11(17)15-9-5-6-9)7-14-12(18)20-13(2,3)4;1-4-5(2)3;1-2/h9-10H,5-7H2,1-4H3,(H,14,18)(H,15,17);5H,4H2,1-3H3;1-2H3
InChIKeyRJDBBJQGLFTYTD-UHFFFAOYSA-N
XLogP3.80
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane with MolForge

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Related Compounds

tert-butyl N-[1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 24689176
tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390326
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
[2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
CID 59248026
tert-butyl N-[2-[[(4-hydroxycyclohexyl)amino]methyl]-3-methylbutyl]carbamate
CID 107441028
[2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
CID 141155795
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate
CID 66786848
tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate
CID 107251188
tert-butyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 116861144
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane?
The IUPAC name of [1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane (CID 143389951) is [1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane.
What is the SMILES notation for [1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane?
The canonical SMILES for [1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane is CC.CC(=O)OC(CNC(=O)OC(C)(C)C)C(=O)NC1CC1.CCC(C)C.
What is the InChIKey of [1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane?
The InChIKey is RJDBBJQGLFTYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5.C5H12.C2H6/c1-8(16)19-10(11(17)15-9-5-6-9)7-14-12(18)20-13(2,3)4;1-4-5(2)3;1-2/h9-10H,5-7H2,1-4H3,(H,14,18)(H,15,17);5H,4H2,1-3H3;1-2H3.
What are the key properties of [1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane?
[1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane has a molecular weight of 388.55 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane is sourced from PubChem (CID 143389951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).