6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid

C14H25NO3 — CID 83147001

IUPAC6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid
SMILESCC(C(=O)NCCC(C)(C)CCC(=O)O)C1CC1
InChIInChI=1S/C14H25NO3/c1-10(11-4-5-11)13(18)15-9-8-14(2,3)7-6-12(16)17/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyJQXVUUOCXYASML-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.43
Rot. Bonds8

About 6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid

6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid (PubChem CID 83147001) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid
PubChem CID83147001
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid
SMILESCC(C(=O)NCCC(C)(C)CCC(=O)O)C1CC1
InChIInChI=1S/C14H25NO3/c1-10(11-4-5-11)13(18)15-9-8-14(2,3)7-6-12(16)17/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyJQXVUUOCXYASML-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-cyclopropylpropanoylamino)pentanoic acid
CID 83146562
4,4-dimethyl-6-(propan-2-yloxycarbonylamino)hexanoic acid
CID 65285506
6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287805
4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid
CID 65284966
4,4-dimethyl-6-(2,3,3-trimethylbutylcarbamoylamino)hexanoic acid
CID 83142689
4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid
CID 65284261
6-[(4-aminocyclohexanecarbonyl)amino]-4,4-dimethylhexanoic acid
CID 65285791
6-[(3-cyclopentyl-2-hydroxypropyl)amino]-4,4-dimethylhexanoic acid
CID 103159401
4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914105
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
N-(2-bromoethyl)-2-cyclopropylpropanamide
CID 83154146
6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid
CID 65285792

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid?
The IUPAC name of 6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid (CID 83147001) is 6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid is CC(C(=O)NCCC(C)(C)CCC(=O)O)C1CC1.
What is the InChIKey of 6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid?
The InChIKey is JQXVUUOCXYASML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(11-4-5-11)13(18)15-9-8-14(2,3)7-6-12(16)17/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid?
6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid is sourced from PubChem (CID 83147001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).