methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate

C13H24N2O3 — CID 65242652

IUPACmethyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate
SMILESCNC1(CC(=O)NC(C)C(=O)OC)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(12(17)18-3)15-11(16)9-13(14-2)7-5-4-6-8-13/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyDDWAZNWWZREMFD-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.98
Rot. Bonds5

About methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate

methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate (PubChem CID 65242652) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate
PubChem CID65242652
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate
SMILESCNC1(CC(=O)NC(C)C(=O)OC)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(12(17)18-3)15-11(16)9-13(14-2)7-5-4-6-8-13/h10,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyDDWAZNWWZREMFD-UHFFFAOYSA-N
XLogP0.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240859
N-(1-cyclopropylethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240682
N-methyl-2-[1-(methylamino)cyclopropyl]acetamide
CID 123365560
3-hydroxy-2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 65242594
(2R)-3-hydroxy-2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 80751284
N-[(2R)-2-hydroxypropyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 107220990
2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide
CID 65242049
methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate
CID 106828162
2-[1-(methylamino)cyclohexyl]-N-pent-1-yn-3-ylacetamide
CID 106230414
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
N-(2-aminoethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242364
2-[1-(methylamino)cyclohexyl]-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 81409906

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate (CID 65242652) is methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate is CNC1(CC(=O)NC(C)C(=O)OC)CCCCC1.
What is the InChIKey of methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate?
The InChIKey is DDWAZNWWZREMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(12(17)18-3)15-11(16)9-13(14-2)7-5-4-6-8-13/h10,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate?
methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate has a molecular weight of 256.35 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]propanoate is sourced from PubChem (CID 65242652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).