(2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid

C10H16N2O6 — CID 177217823

IUPAC(2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid
SMILESN[C@@H](COCCNC(=O)[C@@H]1OCCC1=O)C(=O)O
InChIInChI=1S/C10H16N2O6/c11-6(10(15)16)5-17-4-2-12-9(14)8-7(13)1-3-18-8/h6,8H,1-5,11H2,(H,12,14)(H,15,16)/t6-,8+/m0/s1
InChIKeyBFBLFMPKDHBQMJ-POYBYMJQSA-N
MW260.25 g/mol
LogP-2.11
Rot. Bonds7

About (2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid

(2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid (PubChem CID 177217823) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid
PubChem CID177217823
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name(2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid
SMILESN[C@@H](COCCNC(=O)[C@@H]1OCCC1=O)C(=O)O
InChIInChI=1S/C10H16N2O6/c11-6(10(15)16)5-17-4-2-12-9(14)8-7(13)1-3-18-8/h6,8H,1-5,11H2,(H,12,14)(H,15,16)/t6-,8+/m0/s1
InChIKeyBFBLFMPKDHBQMJ-POYBYMJQSA-N
XLogP-2.11
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid (CID 177217823) is (2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid is N[C@@H](COCCNC(=O)[C@@H]1OCCC1=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid?
The InChIKey is BFBLFMPKDHBQMJ-POYBYMJQSA-N. The full InChI is InChI=1S/C10H16N2O6/c11-6(10(15)16)5-17-4-2-12-9(14)8-7(13)1-3-18-8/h6,8H,1-5,11H2,(H,12,14)(H,15,16)/t6-,8+/m0/s1.
What are the key properties of (2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid?
(2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid has a molecular weight of 260.25 g/mol, XLogP of -2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[2-[[(2R)-3-oxooxolane-2-carbonyl]amino]ethoxy]propanoic acid is sourced from PubChem (CID 177217823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).