4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid

C16H29NO3 — CID 107000429

IUPAC4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid
SMILESCC(C)(C)C(CCNC(=O)C1CC1(C)C)CCC(=O)O
InChIInChI=1S/C16H29NO3/c1-15(2,3)11(6-7-13(18)19)8-9-17-14(20)12-10-16(12,4)5/h11-12H,6-10H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyRWUPJBVBLQDTOJ-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.07
Rot. Bonds7

About 4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid

4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid (PubChem CID 107000429) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid
PubChem CID107000429
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid
SMILESCC(C)(C)C(CCNC(=O)C1CC1(C)C)CCC(=O)O
InChIInChI=1S/C16H29NO3/c1-15(2,3)11(6-7-13(18)19)8-9-17-14(20)12-10-16(12,4)5/h11-12H,6-10H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyRWUPJBVBLQDTOJ-UHFFFAOYSA-N
XLogP3.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid?
The IUPAC name of 4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid (CID 107000429) is 4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid.
What is the SMILES notation for 4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid?
The canonical SMILES for 4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid is CC(C)(C)C(CCNC(=O)C1CC1(C)C)CCC(=O)O.
What is the InChIKey of 4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid?
The InChIKey is RWUPJBVBLQDTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-15(2,3)11(6-7-13(18)19)8-9-17-14(20)12-10-16(12,4)5/h11-12H,6-10H2,1-5H3,(H,17,20)(H,18,19).
What are the key properties of 4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid?
4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]-5,5-dimethylhexanoic acid is sourced from PubChem (CID 107000429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).