(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid

C13H16N2O3 — CID 104898572

IUPAC(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(CC1CNC1)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-11(6-9-7-14-8-9)15-12(13(17)18)10-4-2-1-3-5-10/h1-5,9,12,14H,6-8H2,(H,15,16)(H,17,18)/t12-/m0/s1
InChIKeyKIZRJTSFDXHOMZ-LBPRGKRZSA-N
MW248.28 g/mol
LogP0.54
Rot. Bonds5

About (2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid

(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid (PubChem CID 104898572) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid
PubChem CID104898572
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(CC1CNC1)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-11(6-9-7-14-8-9)15-12(13(17)18)10-4-2-1-3-5-10/h1-5,9,12,14H,6-8H2,(H,15,16)(H,17,18)/t12-/m0/s1
InChIKeyKIZRJTSFDXHOMZ-LBPRGKRZSA-N
XLogP0.54
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 104898505
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
2-(azetidin-3-yl)-N-(2-phenylpropyl)acetamide
CID 64611219
2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 64611423
(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid
CID 103870984
2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid
CID 61157868
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]acetic acid
CID 66422867

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid (CID 104898572) is (2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid is O=C(CC1CNC1)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid?
The InChIKey is KIZRJTSFDXHOMZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-11(6-9-7-14-8-9)15-12(13(17)18)10-4-2-1-3-5-10/h1-5,9,12,14H,6-8H2,(H,15,16)(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid?
(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid has a molecular weight of 248.28 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 104898572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).