[2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate

C17H28N2O5 — CID 59248026

IUPAC[2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
SMILESCC[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(OC(C)=O)C(=O)NC1CC1
InChIInChI=1S/C17H28N2O5/c1-6-11-9-17(11,19-15(22)24-16(3,4)5)13(23-10(2)20)14(21)18-12-7-8-12/h11-13H,6-9H2,1-5H3,(H,18,21)(H,19,22)/t11-,13?,17+/m1/s1
InChIKeyDLHSWIHGMPRLEZ-HVEMNHCWSA-N
MW340.42 g/mol
LogP1.89
Rot. Bonds6

About [2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate

[2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate (PubChem CID 59248026) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is [2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
PubChem CID59248026
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Name[2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
SMILESCC[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(OC(C)=O)C(=O)NC1CC1
InChIInChI=1S/C17H28N2O5/c1-6-11-9-17(11,19-15(22)24-16(3,4)5)13(23-10(2)20)14(21)18-12-7-8-12/h11-13H,6-9H2,1-5H3,(H,18,21)(H,19,22)/t11-,13?,17+/m1/s1
InChIKeyDLHSWIHGMPRLEZ-HVEMNHCWSA-N
XLogP1.89
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate with MolForge

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Related Compounds

[2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
CID 141155795
tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate
CID 91256429
tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate
CID 59044921
tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate
CID 67385903
[1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl] acetate;ethane;2-methylbutane
CID 143389951
methyl (1S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 59963702
tert-butyl N-[2-ethyl-1-[(E)-prop-1-enyl]cyclopropyl]carbamate
CID 130004224
[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
2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;methyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 158428152
tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate
CID 115071653
tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate
CID 103948953
tert-butyl N-[1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 24689176

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate?
The IUPAC name of [2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate (CID 59248026) is [2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate.
What is the SMILES notation for [2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate?
The canonical SMILES for [2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate is CC[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(OC(C)=O)C(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate?
The InChIKey is DLHSWIHGMPRLEZ-HVEMNHCWSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-6-11-9-17(11,19-15(22)24-16(3,4)5)13(23-10(2)20)14(21)18-12-7-8-12/h11-13H,6-9H2,1-5H3,(H,18,21)(H,19,22)/t11-,13?,17+/m1/s1.
What are the key properties of [2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate?
[2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate has a molecular weight of 340.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate is sourced from PubChem (CID 59248026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).