methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate

C12H22N2O3 — CID 95629912

IUPACmethyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCC(=O)N[C@H](C)C1CC1
InChIInChI=1S/C12H22N2O3/c1-8(9-5-6-9)14-10(15)7-13-12(2,3)11(16)17-4/h8-9,13H,5-7H2,1-4H3,(H,14,15)/t8-/m1/s1
InChIKeyYXNZZXSMWUFVKM-MRVPVSSYSA-N
MW242.32 g/mol
LogP0.44
Rot. Bonds6

About methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate

methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate (PubChem CID 95629912) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate
PubChem CID95629912
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCC(=O)N[C@H](C)C1CC1
InChIInChI=1S/C12H22N2O3/c1-8(9-5-6-9)14-10(15)7-13-12(2,3)11(16)17-4/h8-9,13H,5-7H2,1-4H3,(H,14,15)/t8-/m1/s1
InChIKeyYXNZZXSMWUFVKM-MRVPVSSYSA-N
XLogP0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate (CID 95629912) is methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NCC(=O)N[C@H](C)C1CC1.
What is the InChIKey of methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate?
The InChIKey is YXNZZXSMWUFVKM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(9-5-6-9)14-10(15)7-13-12(2,3)11(16)17-4/h8-9,13H,5-7H2,1-4H3,(H,14,15)/t8-/m1/s1.
What are the key properties of methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate?
methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate has a molecular weight of 242.32 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate is sourced from PubChem (CID 95629912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).