2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid

C13H23NO3 — CID 120520784

IUPAC2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)CCC1CCC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-3-9(2)12(13(16)17)14-11(15)8-7-10-5-4-6-10/h9-10,12H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeySKKBIUOFFJATOC-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.18
Rot. Bonds7

About 2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid

2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid (PubChem CID 120520784) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid
PubChem CID120520784
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)CCC1CCC1)C(=O)O
InChIInChI=1S/C13H23NO3/c1-3-9(2)12(13(16)17)14-11(15)8-7-10-5-4-6-10/h9-10,12H,3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeySKKBIUOFFJATOC-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-(3-cyclopropylpropanoylamino)-3-methylpentanoic acid
CID 103790464
(2S)-2-(3-cyclobutylpropanoylamino)-3-methylbutanoic acid
CID 119360684
2-(3-cyclopropylpropanoylamino)-3-methylbutanoic acid
CID 115729568
(2S)-2-(3-cyclopropylpropanoylamino)-3-methylbutanoic acid
CID 119360526
(2S,3S)-2-(2-cyclohexylethylcarbamoylamino)-3-methylpentanoic acid
CID 61206115
3-(3-cyclobutylpropanoylamino)butanoic acid
CID 119347962
(2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid
CID 122100235
(2S,3S)-2-[[2-(cyclopropylmethoxy)acetyl]amino]-3-methylpentanoic acid
CID 119194038
(2S,3S)-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 62854240
2-(3-methoxypropanoylamino)-3-methylpentanoic acid
CID 60759451
(2S,3S)-2-[[2-(cyclopropylamino)acetyl]amino]-3-methylpentanoic acid
CID 61172077
(2S)-3-methyl-2-[[2-(thian-4-yl)acetyl]amino]pentanoic acid
CID 83145180

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid?
The IUPAC name of 2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid (CID 120520784) is 2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid.
What is the SMILES notation for 2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid?
The canonical SMILES for 2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid is CCC(C)C(NC(=O)CCC1CCC1)C(=O)O.
What is the InChIKey of 2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid?
The InChIKey is SKKBIUOFFJATOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-9(2)12(13(16)17)14-11(15)8-7-10-5-4-6-10/h9-10,12H,3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid?
2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid is sourced from PubChem (CID 120520784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).