methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate

C14H26N2O3 — CID 103253399

IUPACmethyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate
SMILESCOC(=O)C(CNC1CCC(C)(C)CC1)NC(C)=O
InChIInChI=1S/C14H26N2O3/c1-10(17)16-12(13(18)19-4)9-15-11-5-7-14(2,3)8-6-11/h11-12,15H,5-9H2,1-4H3,(H,16,17)
InChIKeySJIKZMALBJQEBK-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.22
Rot. Bonds5

About methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate

methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate (PubChem CID 103253399) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate
PubChem CID103253399
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate
SMILESCOC(=O)C(CNC1CCC(C)(C)CC1)NC(C)=O
InChIInChI=1S/C14H26N2O3/c1-10(17)16-12(13(18)19-4)9-15-11-5-7-14(2,3)8-6-11/h11-12,15H,5-9H2,1-4H3,(H,16,17)
InChIKeySJIKZMALBJQEBK-UHFFFAOYSA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-[(4-propylcyclohexyl)amino]propanoate
CID 103245661
methyl 2-acetamido-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate
CID 103260594
methyl 2-acetamido-3-[(2-methylcyclohexyl)amino]propanoate
CID 103235516
(4,4-dimethylcyclohexyl) (2R)-2-acetamido-3-sulfanylpropanoate
CID 107775776
methyl 2-acetamido-3-[(2-methylcycloheptyl)amino]propanoate
CID 103254963
methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate
CID 103251173
methyl 3-(cyclopentylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 171680870
dimethyl (2R,5R)-2,5-diacetamidohexanedioate
CID 88873826
dimethyl 2,5-diacetamidohexanedioate
CID 88873788
methyl 2-acetamido-3-(2,3-dimethylbutylamino)propanoate
CID 103254421
methyl 2-acetamido-3-(ethoxyamino)propanoate
CID 103254521
methyl (2S)-2-acetamidobutanoate
CID 11084154

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate (CID 103253399) is methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate is COC(=O)C(CNC1CCC(C)(C)CC1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate?
The InChIKey is SJIKZMALBJQEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(17)16-12(13(18)19-4)9-15-11-5-7-14(2,3)8-6-11/h11-12,15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate?
methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate has a molecular weight of 270.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[(4,4-dimethylcyclohexyl)amino]propanoate is sourced from PubChem (CID 103253399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).