2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid

C7H11NO7 — CID 21256139

IUPAC2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid
SMILESO=C(O)CN(CC(=O)O)C(CO)C(=O)O
InChIInChI=1S/C7H11NO7/c9-3-4(7(14)15)8(1-5(10)11)2-6(12)13/h4,9H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyHYYXZCHMGNWJQL-UHFFFAOYSA-N
MW221.16 g/mol
LogP-2.10
Rot. Bonds7

About 2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid

2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid (PubChem CID 21256139) has the molecular formula C7H11NO7 and a molecular weight of 221.16 g/mol. Its IUPAC name is 2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid
PubChem CID21256139
Molecular FormulaC7H11NO7
Molecular Weight221.16 g/mol
Exact Mass221.05
IUPAC Name2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid
SMILESO=C(O)CN(CC(=O)O)C(CO)C(=O)O
InChIInChI=1S/C7H11NO7/c9-3-4(7(14)15)8(1-5(10)11)2-6(12)13/h4,9H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyHYYXZCHMGNWJQL-UHFFFAOYSA-N
XLogP-2.10
TPSA135.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid (CID 21256139) is 2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid is O=C(O)CN(CC(=O)O)C(CO)C(=O)O.
What is the InChIKey of 2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid?
The InChIKey is HYYXZCHMGNWJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO7/c9-3-4(7(14)15)8(1-5(10)11)2-6(12)13/h4,9H,1-3H2,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid?
2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid has a molecular weight of 221.16 g/mol, XLogP of -2.10, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 21256139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).