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

C12H23NO3 — CID 61499120

IUPACethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCC1(O)CCCCC1
InChIInChI=1S/C12H23NO3/c1-3-16-11(14)10(2)13-9-12(15)7-5-4-6-8-12/h10,13,15H,3-9H2,1-2H3
InChIKeyYUFMPYCAAYABNI-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.22
Rot. Bonds5

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

ethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate (PubChem CID 61499120) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate
PubChem CID61499120
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCC1(O)CCCCC1
InChIInChI=1S/C12H23NO3/c1-3-16-11(14)10(2)13-9-12(15)7-5-4-6-8-12/h10,13,15H,3-9H2,1-2H3
InChIKeyYUFMPYCAAYABNI-UHFFFAOYSA-N
XLogP1.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 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 ethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate?
The IUPAC name of ethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate (CID 61499120) is ethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate?
The canonical SMILES for ethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate is CCOC(=O)C(C)NCC1(O)CCCCC1.
What is the InChIKey of ethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate?
The InChIKey is YUFMPYCAAYABNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-16-11(14)10(2)13-9-12(15)7-5-4-6-8-12/h10,13,15H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate?
ethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate has a molecular weight of 229.32 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 ethyl 2-[(1-hydroxycyclohexyl)methylamino]propanoate is sourced from PubChem (CID 61499120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).