4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid

C19H33NO5 — CID 120543134

IUPAC4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid
SMILESCC1CCC(C(C)C)C(OCC(=O)NCC2(C(=O)O)CCOCC2)C1
InChIInChI=1S/C19H33NO5/c1-13(2)15-5-4-14(3)10-16(15)25-11-17(21)20-12-19(18(22)23)6-8-24-9-7-19/h13-16H,4-12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyPRZIXDFNAVVNHE-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.46
Rot. Bonds7

About 4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid

4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 120543134) has the molecular formula C19H33NO5 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID120543134
Molecular FormulaC19H33NO5
Molecular Weight355.48 g/mol
Exact Mass355.24
IUPAC Name4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid
SMILESCC1CCC(C(C)C)C(OCC(=O)NCC2(C(=O)O)CCOCC2)C1
InChIInChI=1S/C19H33NO5/c1-13(2)15-5-4-14(3)10-16(15)25-11-17(21)20-12-19(18(22)23)6-8-24-9-7-19/h13-16H,4-12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyPRZIXDFNAVVNHE-UHFFFAOYSA-N
XLogP2.46
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

N-[2-(methylamino)propyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 120829592
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119943112
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 59992252
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
4-[(3-methylhexanoylamino)methyl]oxane-4-carboxylic acid
CID 120542139
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
N-[3-[[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 51672103
N-[2-(benzylsulfonylamino)ethyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 47029916

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid (CID 120543134) is 4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid is CC1CCC(C(C)C)C(OCC(=O)NCC2(C(=O)O)CCOCC2)C1.
What is the InChIKey of 4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is PRZIXDFNAVVNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO5/c1-13(2)15-5-4-14(3)10-16(15)25-11-17(21)20-12-19(18(22)23)6-8-24-9-7-19/h13-16H,4-12H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 355.48 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120543134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).