2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid

C10H19NO6 — CID 88894432

IUPAC2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid
SMILESCCC(N)(CO)COCC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H19NO6/c1-2-10(11,5-12)6-17-4-7(9(15)16)3-8(13)14/h7,12H,2-6,11H2,1H3,(H,13,14)(H,15,16)
InChIKeyRMCNENOGYADKKM-UHFFFAOYSA-N
MW249.26 g/mol
LogP-0.72
Rot. Bonds9

About 2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid

2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid (PubChem CID 88894432) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid.

Molecular Properties

Compound Name2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid
PubChem CID88894432
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid
SMILESCCC(N)(CO)COCC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H19NO6/c1-2-10(11,5-12)6-17-4-7(9(15)16)3-8(13)14/h7,12H,2-6,11H2,1H3,(H,13,14)(H,15,16)
InChIKeyRMCNENOGYADKKM-UHFFFAOYSA-N
XLogP-0.72
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid?
The IUPAC name of 2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid (CID 88894432) is 2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid.
What is the SMILES notation for 2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid?
The canonical SMILES for 2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid is CCC(N)(CO)COCC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid?
The InChIKey is RMCNENOGYADKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6/c1-2-10(11,5-12)6-17-4-7(9(15)16)3-8(13)14/h7,12H,2-6,11H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid?
2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid has a molecular weight of 249.26 g/mol, XLogP of -0.72, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-2-(hydroxymethyl)butoxy]methyl]butanedioic acid is sourced from PubChem (CID 88894432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).