2-[bis(2-aminoacetyl)amino]acetic acid

C6H11N3O4 — CID 23617061

IUPAC2-[bis(2-aminoacetyl)amino]acetic acid
SMILESNCC(=O)N(CC(=O)O)C(=O)CN
InChIInChI=1S/C6H11N3O4/c7-1-4(10)9(3-6(12)13)5(11)2-8/h1-3,7-8H2,(H,12,13)
InChIKeyYFHKHPMHPWKZNM-UHFFFAOYSA-N
MW189.17 g/mol
LogP-2.66
Rot. Bonds4

About 2-[bis(2-aminoacetyl)amino]acetic acid

2-[bis(2-aminoacetyl)amino]acetic acid (PubChem CID 23617061) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-[bis(2-aminoacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(2-aminoacetyl)amino]acetic acid
PubChem CID23617061
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2-[bis(2-aminoacetyl)amino]acetic acid
SMILESNCC(=O)N(CC(=O)O)C(=O)CN
InChIInChI=1S/C6H11N3O4/c7-1-4(10)9(3-6(12)13)5(11)2-8/h1-3,7-8H2,(H,12,13)
InChIKeyYFHKHPMHPWKZNM-UHFFFAOYSA-N
XLogP-2.66
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-2.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-aminoacetyl)-(2-amino-3-hydroxypropanoyl)amino]acetic acid
CID 88668972
2-[(2-aminoacetyl)-methylamino]acetic acid;hydrochloride
CID 87629075
2-[(2-aminoacetyl)-prop-2-ynylamino]acetic acid
CID 79275320
2-[(2-aminoacetyl)-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 174985189
bis(2-aminoacetic acid);copper
CID 50912486
2-aminoacetic acid;cadmium
CID 87269769
(2-aminoacetic acid);carbonic acid
CID 173312624
2-[3-aminopropanoyl(carboxymethyl)amino]acetic acid
CID 18934288
3-[(2-aminoacetyl)-ethoxycarbonylamino]propanoic acid;hydrochloride
CID 174331184
2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid
CID 118189319
2-[3-aminopropanoyl(tert-butyl)amino]acetic acid
CID 79268862
2-aminoacetic acid;iron;nickel
CID 175589238

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-aminoacetyl)amino]acetic acid?
The IUPAC name of 2-[bis(2-aminoacetyl)amino]acetic acid (CID 23617061) is 2-[bis(2-aminoacetyl)amino]acetic acid.
What is the SMILES notation for 2-[bis(2-aminoacetyl)amino]acetic acid?
The canonical SMILES for 2-[bis(2-aminoacetyl)amino]acetic acid is NCC(=O)N(CC(=O)O)C(=O)CN.
What is the InChIKey of 2-[bis(2-aminoacetyl)amino]acetic acid?
The InChIKey is YFHKHPMHPWKZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4/c7-1-4(10)9(3-6(12)13)5(11)2-8/h1-3,7-8H2,(H,12,13).
What are the key properties of 2-[bis(2-aminoacetyl)amino]acetic acid?
2-[bis(2-aminoacetyl)amino]acetic acid has a molecular weight of 189.17 g/mol, XLogP of -2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-aminoacetyl)amino]acetic acid is sourced from PubChem (CID 23617061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).