methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate

C12H22N2O3 — CID 60691118

IUPACmethyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate
SMILESCOC(=O)C(C)NCC(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-9(12(16)17-2)13-8-11(15)14-10-6-4-3-5-7-10/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyDPPBRCBKBVTXGT-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.59
Rot. Bonds5

About methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate

methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate (PubChem CID 60691118) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate
PubChem CID60691118
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate
SMILESCOC(=O)C(C)NCC(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-9(12(16)17-2)13-8-11(15)14-10-6-4-3-5-7-10/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyDPPBRCBKBVTXGT-UHFFFAOYSA-N
XLogP0.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoic acid
CID 83194051
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
methyl (2S)-2-[[2-(cyclooctylamino)-2-oxoethyl]amino]-3-hydroxypropanoate
CID 95122445
N-cycloheptyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 62573821
N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide
CID 82938571
N-cyclopentyl-2-(4-hydroxybutan-2-ylamino)acetamide
CID 83177425
N-cyclopentyl-2-(3-ethylpentan-2-ylamino)acetamide
CID 55260185
N-cyclohexyl-2-(1-methylsulfonylpropan-2-ylamino)acetamide
CID 64643777
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468322
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-cyclopropylacetamide
CID 77029214
2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide
CID 114416819
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate (CID 60691118) is methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate is COC(=O)C(C)NCC(=O)NC1CCCCC1.
What is the InChIKey of methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate?
The InChIKey is DPPBRCBKBVTXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(12(16)17-2)13-8-11(15)14-10-6-4-3-5-7-10/h9-10,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate?
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate has a molecular weight of 242.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 60691118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).