3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid

C13H16N2O4 — CID 104897993

IUPAC3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid
SMILESN[C@H](C(=O)NC1(C(=O)O)CCOC1)c1ccccc1
InChIInChI=1S/C13H16N2O4/c14-10(9-4-2-1-3-5-9)11(16)15-13(12(17)18)6-7-19-8-13/h1-5,10H,6-8,14H2,(H,15,16)(H,17,18)/t10-,13?/m0/s1
InChIKeyNFGSCIDULLWPFR-NKUHCKNESA-N
MW264.28 g/mol
LogP0.05
Rot. Bonds4

About 3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid

3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid (PubChem CID 104897993) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid
PubChem CID104897993
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid
SMILESN[C@H](C(=O)NC1(C(=O)O)CCOC1)c1ccccc1
InChIInChI=1S/C13H16N2O4/c14-10(9-4-2-1-3-5-9)11(16)15-13(12(17)18)6-7-19-8-13/h1-5,10H,6-8,14H2,(H,15,16)(H,17,18)/t10-,13?/m0/s1
InChIKeyNFGSCIDULLWPFR-NKUHCKNESA-N
XLogP0.05
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid (CID 104897993) is 3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid is N[C@H](C(=O)NC1(C(=O)O)CCOC1)c1ccccc1.
What is the InChIKey of 3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is NFGSCIDULLWPFR-NKUHCKNESA-N. The full InChI is InChI=1S/C13H16N2O4/c14-10(9-4-2-1-3-5-9)11(16)15-13(12(17)18)6-7-19-8-13/h1-5,10H,6-8,14H2,(H,15,16)(H,17,18)/t10-,13?/m0/s1.
What are the key properties of 3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid?
3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 104897993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).