3-[2-(azetidin-3-yl)propanoylamino]butanoic acid

C10H18N2O3 — CID 116676971

IUPAC3-[2-(azetidin-3-yl)propanoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C(C)C1CNC1
InChIInChI=1S/C10H18N2O3/c1-6(3-9(13)14)12-10(15)7(2)8-4-11-5-8/h6-8,11H,3-5H2,1-2H3,(H,12,15)(H,13,14)
InChIKeySNLNRHNLZLUMAG-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.18
Rot. Bonds5

About 3-[2-(azetidin-3-yl)propanoylamino]butanoic acid

3-[2-(azetidin-3-yl)propanoylamino]butanoic acid (PubChem CID 116676971) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[2-(azetidin-3-yl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name3-[2-(azetidin-3-yl)propanoylamino]butanoic acid
PubChem CID116676971
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[2-(azetidin-3-yl)propanoylamino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C(C)C1CNC1
InChIInChI=1S/C10H18N2O3/c1-6(3-9(13)14)12-10(15)7(2)8-4-11-5-8/h6-8,11H,3-5H2,1-2H3,(H,12,15)(H,13,14)
InChIKeySNLNRHNLZLUMAG-UHFFFAOYSA-N
XLogP-0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

H-Val-beta-ala-OH
CID 7009619
3-(3-Methylbutanoylamino)butanoic acid
CID 43240613
2-[(2,2-Dimethylpropanoylamino)methyl]-3,3-dimethylbutanoic acid
CID 59428832
2-[(Butanoylamino)methyl]butanoic acid
CID 65217913
4-(Azetidine-3-carbonylamino)butanoic acid
CID 65963860
4-[(3S)-3-amino-2-oxoazetidin-1-yl]-3-methylbutanoic acid
CID 67918002
(2S)-2-(azetidine-3-carbonylamino)-3-methylbutanoic acid
CID 79026250
3-(methylamino)-N-(2-methylpropyl)butanamide;3-methylbutanoic acid
CID 91191848
2,3-Dimethyl-4-oxo-4-(propan-2-ylamino)butanoic acid
CID 103495997
2-Methyl-4-oxoazetidine-3-carboxylic acid
CID 141480345
3-(Aminomethyl)-4-oxo-4-(propan-2-ylamino)butanoic acid
CID 172239822
(3R)-4-acetamido-3-amino-2-methylbutanoic acid
CID 174276877

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-3-yl)propanoylamino]butanoic acid?
The IUPAC name of 3-[2-(azetidin-3-yl)propanoylamino]butanoic acid (CID 116676971) is 3-[2-(azetidin-3-yl)propanoylamino]butanoic acid.
What is the SMILES notation for 3-[2-(azetidin-3-yl)propanoylamino]butanoic acid?
The canonical SMILES for 3-[2-(azetidin-3-yl)propanoylamino]butanoic acid is CC(CC(=O)O)NC(=O)C(C)C1CNC1.
What is the InChIKey of 3-[2-(azetidin-3-yl)propanoylamino]butanoic acid?
The InChIKey is SNLNRHNLZLUMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-6(3-9(13)14)12-10(15)7(2)8-4-11-5-8/h6-8,11H,3-5H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 3-[2-(azetidin-3-yl)propanoylamino]butanoic acid?
3-[2-(azetidin-3-yl)propanoylamino]butanoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-3-yl)propanoylamino]butanoic acid is sourced from PubChem (CID 116676971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).