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

C16H29NO3 — CID 83147343

IUPAC4-[2-(2-cyclopropylpropanoylamino)ethyl]-5,5-dimethylhexanoic acid
SMILESCC(C(=O)NCCC(CCC(=O)O)C(C)(C)C)C1CC1
InChIInChI=1S/C16H29NO3/c1-11(12-5-6-12)15(20)17-10-9-13(16(2,3)4)7-8-14(18)19/h11-13H,5-10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyNKINDODUPNTSLX-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.07
Rot. Bonds8

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

4-[2-(2-cyclopropylpropanoylamino)ethyl]-5,5-dimethylhexanoic acid (PubChem CID 83147343) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 4-[2-(2-cyclopropylpropanoylamino)ethyl]-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name4-[2-(2-cyclopropylpropanoylamino)ethyl]-5,5-dimethylhexanoic acid
PubChem CID83147343
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name4-[2-(2-cyclopropylpropanoylamino)ethyl]-5,5-dimethylhexanoic acid
SMILESCC(C(=O)NCCC(CCC(=O)O)C(C)(C)C)C1CC1
InChIInChI=1S/C16H29NO3/c1-11(12-5-6-12)15(20)17-10-9-13(16(2,3)4)7-8-14(18)19/h11-13H,5-10H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyNKINDODUPNTSLX-UHFFFAOYSA-N
XLogP3.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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-cyclopropylpropanoylamino)ethyl]-5,5-dimethylhexanoic acid?
The IUPAC name of 4-[2-(2-cyclopropylpropanoylamino)ethyl]-5,5-dimethylhexanoic acid (CID 83147343) is 4-[2-(2-cyclopropylpropanoylamino)ethyl]-5,5-dimethylhexanoic acid.
What is the SMILES notation for 4-[2-(2-cyclopropylpropanoylamino)ethyl]-5,5-dimethylhexanoic acid?
The canonical SMILES for 4-[2-(2-cyclopropylpropanoylamino)ethyl]-5,5-dimethylhexanoic acid is CC(C(=O)NCCC(CCC(=O)O)C(C)(C)C)C1CC1.
What is the InChIKey of 4-[2-(2-cyclopropylpropanoylamino)ethyl]-5,5-dimethylhexanoic acid?
The InChIKey is NKINDODUPNTSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-11(12-5-6-12)15(20)17-10-9-13(16(2,3)4)7-8-14(18)19/h11-13H,5-10H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 4-[2-(2-cyclopropylpropanoylamino)ethyl]-5,5-dimethylhexanoic acid?
4-[2-(2-cyclopropylpropanoylamino)ethyl]-5,5-dimethylhexanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyclopropylpropanoylamino)ethyl]-5,5-dimethylhexanoic acid is sourced from PubChem (CID 83147343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).