methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate

C15H29NO2 — CID 113359608

IUPACmethyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate
SMILESCOC(=O)C(C)CNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H29NO2/c1-11(13(17)18-6)9-16-12-7-14(2,3)10-15(4,5)8-12/h11-12,16H,7-10H2,1-6H3
InChIKeyDHBBWQMSHJJOMY-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.99
Rot. Bonds4

About methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate

methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate (PubChem CID 113359608) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate
PubChem CID113359608
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate
SMILESCOC(=O)C(C)CNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H29NO2/c1-11(13(17)18-6)9-16-12-7-14(2,3)10-15(4,5)8-12/h11-12,16H,7-10H2,1-6H3
InChIKeyDHBBWQMSHJJOMY-UHFFFAOYSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate with MolForge

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Related Compounds

Potassium N-((5-amino-1,3,3-trimethylcyclohexyl)methyl)-beta-alaninate
CID 56842383
3-[(5-Amino-1,3,3-trimethylcyclohexyl)methylamino]propanoic acid
CID 56842384
Methyl 3-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate
CID 64758381
3,3,3-Trifluoro-2-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]propanoic acid
CID 103263759
Ethyl 3-(cyclohexylmethylamino)propanoate
CID 10375928
Methyl 3-(2-cyclohexylethylamino)propanoate;hydrochloride
CID 21974234
Methyl 3-(2-cyclohexylethylamino)propanoate
CID 21974235
Methyl 3-[[3-[[bis(3-methoxy-3-oxopropyl)amino]methyl]-3,5,5-trimethylcyclohexyl]amino]propanoate
CID 90208538
Methyl 3-[(5-amino-1,3,3-trimethylcyclohexyl)methyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 90208765
Methyl 3-[[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]amino]propanoate
CID 90208766
Methyl 3-[[5-[(3-methoxy-3-oxopropyl)amino]-1,3,3-trimethylcyclohexyl]methylamino]propanoate
CID 90208769
Methyl 3-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]propanoate
CID 90208770

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate (CID 113359608) is methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate is COC(=O)C(C)CNC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate?
The InChIKey is DHBBWQMSHJJOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11(13(17)18-6)9-16-12-7-14(2,3)10-15(4,5)8-12/h11-12,16H,7-10H2,1-6H3.
What are the key properties of methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate?
methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate has a molecular weight of 255.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate is sourced from PubChem (CID 113359608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).