5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid

C17H31NO3 — CID 66476083

IUPAC5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid
SMILESCC(C)C(CCNC(=O)C1C(C)(C)C1(C)C)CCC(=O)O
InChIInChI=1S/C17H31NO3/c1-11(2)12(7-8-13(19)20)9-10-18-15(21)14-16(3,4)17(14,5)6/h11-12,14H,7-10H2,1-6H3,(H,18,21)(H,19,20)
InChIKeyDCMSPJVNBSISNZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.31
Rot. Bonds8

About 5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid

5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid (PubChem CID 66476083) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid
PubChem CID66476083
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid
SMILESCC(C)C(CCNC(=O)C1C(C)(C)C1(C)C)CCC(=O)O
InChIInChI=1S/C17H31NO3/c1-11(2)12(7-8-13(19)20)9-10-18-15(21)14-16(3,4)17(14,5)6/h11-12,14H,7-10H2,1-6H3,(H,18,21)(H,19,20)
InChIKeyDCMSPJVNBSISNZ-UHFFFAOYSA-N
XLogP3.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid?
The IUPAC name of 5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid (CID 66476083) is 5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid.
What is the SMILES notation for 5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid?
The canonical SMILES for 5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid is CC(C)C(CCNC(=O)C1C(C)(C)C1(C)C)CCC(=O)O.
What is the InChIKey of 5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid?
The InChIKey is DCMSPJVNBSISNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-11(2)12(7-8-13(19)20)9-10-18-15(21)14-16(3,4)17(14,5)6/h11-12,14H,7-10H2,1-6H3,(H,18,21)(H,19,20).
What are the key properties of 5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid?
5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid has a molecular weight of 297.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]hexanoic acid is sourced from PubChem (CID 66476083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).