2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid

C9H17NO6 — CID 23422381

IUPAC2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid
SMILESCCC(CO)(CO)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H17NO6/c1-2-9(5-11,6-12)10(3-7(13)14)4-8(15)16/h11-12H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyCGVSUHUHVZUZGR-UHFFFAOYSA-N
MW235.24 g/mol
LogP-1.41
Rot. Bonds8

About 2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid

2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid (PubChem CID 23422381) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid
PubChem CID23422381
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Name2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid
SMILESCCC(CO)(CO)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C9H17NO6/c1-2-9(5-11,6-12)10(3-7(13)14)4-8(15)16/h11-12H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyCGVSUHUHVZUZGR-UHFFFAOYSA-N
XLogP-1.41
TPSA118.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid (CID 23422381) is 2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid is CCC(CO)(CO)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid?
The InChIKey is CGVSUHUHVZUZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6/c1-2-9(5-11,6-12)10(3-7(13)14)4-8(15)16/h11-12H,2-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid?
2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid has a molecular weight of 235.24 g/mol, XLogP of -1.41, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]acetic acid is sourced from PubChem (CID 23422381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).