2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid

C17H31NO3 — CID 63921129

IUPAC2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid
SMILESCNC(COC1CC(C)CCC1C(C)C)(C(=O)O)C1CC1
InChIInChI=1S/C17H31NO3/c1-11(2)14-8-5-12(3)9-15(14)21-10-17(18-4,16(19)20)13-6-7-13/h11-15,18H,5-10H2,1-4H3,(H,19,20)
InChIKeyNFDUUHYBBRAFSI-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.92
Rot. Bonds7

About 2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid

2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid (PubChem CID 63921129) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid
PubChem CID63921129
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid
SMILESCNC(COC1CC(C)CCC1C(C)C)(C(=O)O)C1CC1
InChIInChI=1S/C17H31NO3/c1-11(2)14-8-5-12(3)9-15(14)21-10-17(18-4,16(19)20)13-6-7-13/h11-15,18H,5-10H2,1-4H3,(H,19,20)
InChIKeyNFDUUHYBBRAFSI-UHFFFAOYSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119943112
3-[methyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119362785
(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate
CID 62822105
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid (CID 63921129) is 2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid is CNC(COC1CC(C)CCC1C(C)C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid?
The InChIKey is NFDUUHYBBRAFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-11(2)14-8-5-12(3)9-15(14)21-10-17(18-4,16(19)20)13-6-7-13/h11-15,18H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid?
2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid has a molecular weight of 297.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanoic acid is sourced from PubChem (CID 63921129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).