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

C9H16N2O3 — CID 116676916

IUPAC2-[2-(azetidin-3-yl)propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)C1CNC1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-5(7-3-10-4-7)8(12)11-6(2)9(13)14/h5-7,10H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyGTPFFWHQFNSGCH-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.57
Rot. Bonds4

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

2-[2-(azetidin-3-yl)propanoylamino]propanoic acid (PubChem CID 116676916) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[2-(azetidin-3-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(azetidin-3-yl)propanoylamino]propanoic acid
PubChem CID116676916
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[2-(azetidin-3-yl)propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)C1CNC1)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-5(7-3-10-4-7)8(12)11-6(2)9(13)14/h5-7,10H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyGTPFFWHQFNSGCH-UHFFFAOYSA-N
XLogP-0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopropylpropanoylamino)propanoic acid
CID 81456146
2-[2-(azetidin-3-yl)propanoylamino]-2-cyclopropylacetic acid
CID 116677711
3-[2-(azetidin-3-yl)propanoylamino]butanoic acid
CID 116676971
2-(azetidin-3-yl)-N-(1,1-dimethoxypropan-2-yl)propanamide
CID 116678068
2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide
CID 106344911
(2S)-2-[2-(azetidin-3-yl)propanoylamino]-4-methylsulfanylbutanoic acid
CID 104892283
3-[2-(azetidin-3-yl)propanoylamino]-5,5-dimethylhexanoic acid
CID 116679069
2-[2-(azetidin-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 116676904
2-(azetidin-3-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107852972
2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide
CID 116676839
2-(azetidin-3-yl)-N-heptan-2-ylpropanamide
CID 116674944
2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 116675630

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-3-yl)propanoylamino]propanoic acid?
The IUPAC name of 2-[2-(azetidin-3-yl)propanoylamino]propanoic acid (CID 116676916) is 2-[2-(azetidin-3-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 2-[2-(azetidin-3-yl)propanoylamino]propanoic acid?
The canonical SMILES for 2-[2-(azetidin-3-yl)propanoylamino]propanoic acid is CC(NC(=O)C(C)C1CNC1)C(=O)O.
What is the InChIKey of 2-[2-(azetidin-3-yl)propanoylamino]propanoic acid?
The InChIKey is GTPFFWHQFNSGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-5(7-3-10-4-7)8(12)11-6(2)9(13)14/h5-7,10H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(azetidin-3-yl)propanoylamino]propanoic acid?
2-[2-(azetidin-3-yl)propanoylamino]propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-3-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 116676916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).