methyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate

C11H21NO3 — CID 61499367

IUPACmethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCC1(O)CCCCC1
InChIInChI=1S/C11H21NO3/c1-9(10(13)15-2)12-8-11(14)6-4-3-5-7-11/h9,12,14H,3-8H2,1-2H3
InChIKeyXDINNWSASMWJAC-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.83
Rot. Bonds4

About methyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate

methyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate (PubChem CID 61499367) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate
PubChem CID61499367
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate
SMILESCOC(=O)C(C)NCC1(O)CCCCC1
InChIInChI=1S/C11H21NO3/c1-9(10(13)15-2)12-8-11(14)6-4-3-5-7-11/h9,12,14H,3-8H2,1-2H3
InChIKeyXDINNWSASMWJAC-UHFFFAOYSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate?
The IUPAC name of methyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate (CID 61499367) is methyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate is COC(=O)C(C)NCC1(O)CCCCC1.
What is the InChIKey of methyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate?
The InChIKey is XDINNWSASMWJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(10(13)15-2)12-8-11(14)6-4-3-5-7-11/h9,12,14H,3-8H2,1-2H3.
What are the key properties of methyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate?
methyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate has a molecular weight of 215.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate is sourced from PubChem (CID 61499367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).