ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate

C11H20N2O3 — CID 61498803

IUPACethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate
SMILESCCOC(=O)C(C)NC(C)C(=O)NC1CC1
InChIInChI=1S/C11H20N2O3/c1-4-16-11(15)8(3)12-7(2)10(14)13-9-5-6-9/h7-9,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyXYFFPBHJFHGCCN-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.19
Rot. Bonds6

About ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate

ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate (PubChem CID 61498803) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate
PubChem CID61498803
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate
SMILESCCOC(=O)C(C)NC(C)C(=O)NC1CC1
InChIInChI=1S/C11H20N2O3/c1-4-16-11(15)8(3)12-7(2)10(14)13-9-5-6-9/h7-9,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyXYFFPBHJFHGCCN-UHFFFAOYSA-N
XLogP0.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498920
ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81393902
ethyl 2-(1-cyclobutylethylamino)propanoate
CID 115766406
N-cyclopropyl-2-(propan-2-ylamino)propanamide
CID 43085808
ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate
CID 62638586
ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712
N-cyclopentyl-2-(3-methylpentan-2-ylamino)propanamide
CID 54950797
N-cyclopropyl-2-(octan-4-ylamino)propanamide
CID 103728152
ethyl 2-(cyclohexylcarbamoylamino)propanoate
CID 54959999
N-(4-aminocyclohexyl)-2-ethoxypropanamide
CID 119478328
ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
ethyl 2-(cyclooctylamino)propanoate
CID 61498293

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate?
The IUPAC name of ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate (CID 61498803) is ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate?
The canonical SMILES for ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate is CCOC(=O)C(C)NC(C)C(=O)NC1CC1.
What is the InChIKey of ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate?
The InChIKey is XYFFPBHJFHGCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-16-11(15)8(3)12-7(2)10(14)13-9-5-6-9/h7-9,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate?
ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate has a molecular weight of 228.29 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate is sourced from PubChem (CID 61498803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).