3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid

C17H29NO5 — CID 119212443

IUPAC3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid
SMILESCC1CCCC(OCC(=O)N(CCC(=O)O)C2CCOCC2)C1
InChIInChI=1S/C17H29NO5/c1-13-3-2-4-15(11-13)23-12-16(19)18(8-5-17(20)21)14-6-9-22-10-7-14/h13-15H,2-12H2,1H3,(H,20,21)
InChIKeyXVXTVIJFABLRHN-UHFFFAOYSA-N
MW327.42 g/mol
LogP2.06
Rot. Bonds7

About 3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid

3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid (PubChem CID 119212443) has the molecular formula C17H29NO5 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid
PubChem CID119212443
Molecular FormulaC17H29NO5
Molecular Weight327.42 g/mol
Exact Mass327.20
IUPAC Name3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid
SMILESCC1CCCC(OCC(=O)N(CCC(=O)O)C2CCOCC2)C1
InChIInChI=1S/C17H29NO5/c1-13-3-2-4-15(11-13)23-12-16(19)18(8-5-17(20)21)14-6-9-22-10-7-14/h13-15H,2-12H2,1H3,(H,20,21)
InChIKeyXVXTVIJFABLRHN-UHFFFAOYSA-N
XLogP2.06
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[[2-[(1S,3R)-3-methylcyclohexyl]acetyl]-(oxan-4-yl)amino]propanoic acid
CID 124694142
3-[(2-cyclopentylacetyl)-(oxan-4-yl)amino]propanoic acid
CID 119212280
5-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pentanoic acid
CID 97234393
N-ethyl-N-(3-methylbutan-2-yl)-2-(3-methylcyclohexyl)oxyacetamide
CID 86941609
3-[[2-(2-methylphenoxy)acetyl]-(oxan-4-yl)amino]propanoic acid
CID 119212252
3-[[2-(3,4-dimethylphenoxy)acetyl]-(oxan-4-yl)amino]propanoic acid
CID 119212286
2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[4-[methyl-[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]butyl]acetamide
CID 124856388
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(3-methylcyclohexyl)oxyacetamide
CID 111596559
1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone
CID 104751838
N-methyl-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(1S,2S)-2-methylsulfonylcyclopentyl]acetamide
CID 124856790
3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid
CID 115730536
N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97023264

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid?
The IUPAC name of 3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid (CID 119212443) is 3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid is CC1CCCC(OCC(=O)N(CCC(=O)O)C2CCOCC2)C1.
What is the InChIKey of 3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid?
The InChIKey is XVXTVIJFABLRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO5/c1-13-3-2-4-15(11-13)23-12-16(19)18(8-5-17(20)21)14-6-9-22-10-7-14/h13-15H,2-12H2,1H3,(H,20,21).
What are the key properties of 3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid?
3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid has a molecular weight of 327.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methylcyclohexyl)oxyacetyl]-(oxan-4-yl)amino]propanoic acid is sourced from PubChem (CID 119212443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).