(2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid

C11H19NO5 — CID 65156844

IUPAC(2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid
SMILESCC1OC(C)C(C(=O)N[C@@H](CO)C(=O)O)C1C
InChIInChI=1S/C11H19NO5/c1-5-6(2)17-7(3)9(5)10(14)12-8(4-13)11(15)16/h5-9,13H,4H2,1-3H3,(H,12,14)(H,15,16)/t5?,6?,7?,8-,9?/m0/s1
InChIKeyQOCNBDTZPVSFHI-JBZFENEHSA-N
MW245.27 g/mol
LogP-0.39
Rot. Bonds4

About (2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid

(2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid (PubChem CID 65156844) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid
PubChem CID65156844
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid
SMILESCC1OC(C)C(C(=O)N[C@@H](CO)C(=O)O)C1C
InChIInChI=1S/C11H19NO5/c1-5-6(2)17-7(3)9(5)10(14)12-8(4-13)11(15)16/h5-9,13H,4H2,1-3H3,(H,12,14)(H,15,16)/t5?,6?,7?,8-,9?/m0/s1
InChIKeyQOCNBDTZPVSFHI-JBZFENEHSA-N
XLogP-0.39
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid (CID 65156844) is (2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid is CC1OC(C)C(C(=O)N[C@@H](CO)C(=O)O)C1C.
What is the InChIKey of (2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid?
The InChIKey is QOCNBDTZPVSFHI-JBZFENEHSA-N. The full InChI is InChI=1S/C11H19NO5/c1-5-6(2)17-7(3)9(5)10(14)12-8(4-13)11(15)16/h5-9,13H,4H2,1-3H3,(H,12,14)(H,15,16)/t5?,6?,7?,8-,9?/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid?
(2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid has a molecular weight of 245.27 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 65156844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).