3-(3-cyclobutylpropanoylamino)butanoic acid

C11H19NO3 — CID 119347962

IUPAC3-(3-cyclobutylpropanoylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)CCC1CCC1
InChIInChI=1S/C11H19NO3/c1-8(7-11(14)15)12-10(13)6-5-9-3-2-4-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyJTQXAPYMLSWRDG-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds6

About 3-(3-cyclobutylpropanoylamino)butanoic acid

3-(3-cyclobutylpropanoylamino)butanoic acid (PubChem CID 119347962) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(3-cyclobutylpropanoylamino)butanoic acid.

Molecular Properties

Compound Name3-(3-cyclobutylpropanoylamino)butanoic acid
PubChem CID119347962
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(3-cyclobutylpropanoylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)CCC1CCC1
InChIInChI=1S/C11H19NO3/c1-8(7-11(14)15)12-10(13)6-5-9-3-2-4-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyJTQXAPYMLSWRDG-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
(2S)-2-(3-cyclobutylpropanoylamino)-3-methylbutanoic acid
CID 119360684
N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide
CID 114316586
3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
CID 115662074
2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid
CID 120520784
N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide
CID 114305958
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
3-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61160431
2-(3-cyclopropylpropanoylamino)-3-methylbutanoic acid
CID 115729568
(2S)-2-(3-cyclopropylpropanoylamino)-3-methylbutanoic acid
CID 119360526
3-(3-aminocyclohexyl)-N-hexan-2-ylpropanamide
CID 80701095

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutylpropanoylamino)butanoic acid?
The IUPAC name of 3-(3-cyclobutylpropanoylamino)butanoic acid (CID 119347962) is 3-(3-cyclobutylpropanoylamino)butanoic acid.
What is the SMILES notation for 3-(3-cyclobutylpropanoylamino)butanoic acid?
The canonical SMILES for 3-(3-cyclobutylpropanoylamino)butanoic acid is CC(CC(=O)O)NC(=O)CCC1CCC1.
What is the InChIKey of 3-(3-cyclobutylpropanoylamino)butanoic acid?
The InChIKey is JTQXAPYMLSWRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(7-11(14)15)12-10(13)6-5-9-3-2-4-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-(3-cyclobutylpropanoylamino)butanoic acid?
3-(3-cyclobutylpropanoylamino)butanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutylpropanoylamino)butanoic acid is sourced from PubChem (CID 119347962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).