5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid

C9H17NO6 — CID 18931532

IUPAC5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C9H17NO6/c11-4-9(5-12,6-13)10-7(14)2-1-3-8(15)16/h11-13H,1-6H2,(H,10,14)(H,15,16)
InChIKeyFZULONFPDSLISR-UHFFFAOYSA-N
MW235.24 g/mol
LogP-1.93
Rot. Bonds8

About 5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid

5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid (PubChem CID 18931532) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid
PubChem CID18931532
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Name5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C9H17NO6/c11-4-9(5-12,6-13)10-7(14)2-1-3-8(15)16/h11-13H,1-6H2,(H,10,14)(H,15,16)
InChIKeyFZULONFPDSLISR-UHFFFAOYSA-N
XLogP-1.93
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-1.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid (CID 18931532) is 5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NC(CO)(CO)CO.
What is the InChIKey of 5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid?
The InChIKey is FZULONFPDSLISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6/c11-4-9(5-12,6-13)10-7(14)2-1-3-8(15)16/h11-13H,1-6H2,(H,10,14)(H,15,16).
What are the key properties of 5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid?
5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid has a molecular weight of 235.24 g/mol, XLogP of -1.93, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 18931532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).