3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid

C7H15NO5 — CID 10418393

IUPAC3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid
SMILESO=C(O)CCNC(CO)(CO)CO
InChIInChI=1S/C7H15NO5/c9-3-7(4-10,5-11)8-2-1-6(12)13/h8-11H,1-5H2,(H,12,13)
InChIKeyZIPJPZJFUMVTFO-UHFFFAOYSA-N
MW193.20 g/mol
LogP-2.23
Rot. Bonds7

About 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid

3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid (PubChem CID 10418393) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid
PubChem CID10418393
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid
SMILESO=C(O)CCNC(CO)(CO)CO
InChIInChI=1S/C7H15NO5/c9-3-7(4-10,5-11)8-2-1-6(12)13/h8-11H,1-5H2,(H,12,13)
InChIKeyZIPJPZJFUMVTFO-UHFFFAOYSA-N
XLogP-2.23
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid?
The IUPAC name of 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid (CID 10418393) is 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid?
The canonical SMILES for 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid is O=C(O)CCNC(CO)(CO)CO.
What is the InChIKey of 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid?
The InChIKey is ZIPJPZJFUMVTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5/c9-3-7(4-10,5-11)8-2-1-6(12)13/h8-11H,1-5H2,(H,12,13).
What are the key properties of 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid?
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid has a molecular weight of 193.20 g/mol, XLogP of -2.23, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propanoic acid is sourced from PubChem (CID 10418393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).