2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid

C11H19NO7 — CID 139212791

IUPAC2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid
SMILESCC(C)C(=O)OCC(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H19NO7/c1-7(2)11(18)19-6-8(13)3-12(4-9(14)15)5-10(16)17/h7-8,13H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyRCIXXDCYTCZSGK-UHFFFAOYSA-N
MW277.27 g/mol
LogP-0.98
Rot. Bonds9

About 2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid

2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid (PubChem CID 139212791) has the molecular formula C11H19NO7 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid
PubChem CID139212791
Molecular FormulaC11H19NO7
Molecular Weight277.27 g/mol
Exact Mass277.12
IUPAC Name2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid
SMILESCC(C)C(=O)OCC(O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H19NO7/c1-7(2)11(18)19-6-8(13)3-12(4-9(14)15)5-10(16)17/h7-8,13H,3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyRCIXXDCYTCZSGK-UHFFFAOYSA-N
XLogP-0.98
TPSA124.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid (CID 139212791) is 2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid is CC(C)C(=O)OCC(O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid?
The InChIKey is RCIXXDCYTCZSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO7/c1-7(2)11(18)19-6-8(13)3-12(4-9(14)15)5-10(16)17/h7-8,13H,3-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid?
2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid has a molecular weight of 277.27 g/mol, XLogP of -0.98, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-hydroxy-3-(2-methylpropanoyloxy)propyl]amino]acetic acid is sourced from PubChem (CID 139212791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).