(2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid

C13H25NO5 — CID 42607281

IUPAC(2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid
SMILESCCCCCCC[C@H](O)CC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C13H25NO5/c1-2-3-4-5-6-7-10(16)8-12(17)14-11(9-15)13(18)19/h10-11,15-16H,2-9H2,1H3,(H,14,17)(H,18,19)/t10-,11-/m0/s1
InChIKeyNDDJIMSGSZNACM-QWRGUYRKSA-N
MW275.34 g/mol
LogP0.66
Rot. Bonds11

About (2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid

(2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid (PubChem CID 42607281) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid
PubChem CID42607281
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name(2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid
SMILESCCCCCCC[C@H](O)CC(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C13H25NO5/c1-2-3-4-5-6-7-10(16)8-12(17)14-11(9-15)13(18)19/h10-11,15-16H,2-9H2,1H3,(H,14,17)(H,18,19)/t10-,11-/m0/s1
InChIKeyNDDJIMSGSZNACM-QWRGUYRKSA-N
XLogP0.66
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid (CID 42607281) is (2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid is CCCCCCC[C@H](O)CC(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid?
The InChIKey is NDDJIMSGSZNACM-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H25NO5/c1-2-3-4-5-6-7-10(16)8-12(17)14-11(9-15)13(18)19/h10-11,15-16H,2-9H2,1H3,(H,14,17)(H,18,19)/t10-,11-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid?
(2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid has a molecular weight of 275.34 g/mol, XLogP of 0.66, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[(3S)-3-hydroxydecanoyl]amino]propanoic acid is sourced from PubChem (CID 42607281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).