2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid

C10H15N3O6 — CID 19094652

IUPAC2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid
SMILESNCC(=O)N1CCN(CC(=O)O)C(=O)C1CC(=O)O
InChIInChI=1S/C10H15N3O6/c11-4-7(14)13-2-1-12(5-9(17)18)10(19)6(13)3-8(15)16/h6H,1-5,11H2,(H,15,16)(H,17,18)
InChIKeyDOQYBPJFJWLJPQ-UHFFFAOYSA-N
MW273.24 g/mol
LogP-2.46
Rot. Bonds5

About 2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 19094652) has the molecular formula C10H15N3O6 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID19094652
Molecular FormulaC10H15N3O6
Molecular Weight273.24 g/mol
Exact Mass273.10
IUPAC Name2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid
SMILESNCC(=O)N1CCN(CC(=O)O)C(=O)C1CC(=O)O
InChIInChI=1S/C10H15N3O6/c11-4-7(14)13-2-1-12(5-9(17)18)10(19)6(13)3-8(15)16/h6H,1-5,11H2,(H,15,16)(H,17,18)
InChIKeyDOQYBPJFJWLJPQ-UHFFFAOYSA-N
XLogP-2.46
TPSA141.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-2.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid (CID 19094652) is 2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid is NCC(=O)N1CCN(CC(=O)O)C(=O)C1CC(=O)O.
What is the InChIKey of 2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is DOQYBPJFJWLJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6/c11-4-7(14)13-2-1-12(5-9(17)18)10(19)6(13)3-8(15)16/h6H,1-5,11H2,(H,15,16)(H,17,18).
What are the key properties of 2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 273.24 g/mol, XLogP of -2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoacetyl)-4-(carboxymethyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 19094652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).