[2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate

C15H24N2O5 — CID 141155795

IUPAC[2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CC1)C1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O5/c1-9(18)21-11(12(19)16-10-5-6-10)15(7-8-15)17-13(20)22-14(2,3)4/h10-11H,5-8H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyZLFXTDRVFKQDJA-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.25
Rot. Bonds5

About [2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate

[2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate (PubChem CID 141155795) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is [2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
PubChem CID141155795
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name[2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
SMILESCC(=O)OC(C(=O)NC1CC1)C1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O5/c1-9(18)21-11(12(19)16-10-5-6-10)15(7-8-15)17-13(20)22-14(2,3)4/h10-11H,5-8H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyZLFXTDRVFKQDJA-UHFFFAOYSA-N
XLogP1.25
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate
CID 67385903
[2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
CID 59248026
tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate
CID 91256429
tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate
CID 20811777
[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]-2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] acetate
CID 87317440
[2-(cyclopropylamino)-1-[1-[[(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-3-methylcyclobutyl]-2-oxoethyl] acetate
CID 59248016
tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate
CID 167733960
[1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane
CID 143389951
tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate
CID 115047302
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate?
The IUPAC name of [2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate (CID 141155795) is [2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate?
The canonical SMILES for [2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate is CC(=O)OC(C(=O)NC1CC1)C1(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of [2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate?
The InChIKey is ZLFXTDRVFKQDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-9(18)21-11(12(19)16-10-5-6-10)15(7-8-15)17-13(20)22-14(2,3)4/h10-11H,5-8H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of [2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate?
[2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate has a molecular weight of 312.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate is sourced from PubChem (CID 141155795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).