2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid

C10H13N3O5 — CID 70915013

IUPAC2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13N3O5/c14-7(5-11-6-10(17)18)12-3-4-13-8(15)1-2-9(13)16/h1-2,11H,3-6H2,(H,12,14)(H,17,18)
InChIKeyBBOQQRZHTHGQSZ-UHFFFAOYSA-N
MW255.23 g/mol
LogP-2.30
Rot. Bonds7

About 2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid

2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid (PubChem CID 70915013) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid
PubChem CID70915013
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)NCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13N3O5/c14-7(5-11-6-10(17)18)12-3-4-13-8(15)1-2-9(13)16/h1-2,11H,3-6H2,(H,12,14)(H,17,18)
InChIKeyBBOQQRZHTHGQSZ-UHFFFAOYSA-N
XLogP-2.30
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-2.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

n-(2-aminoethyl)maleimide, trifluoroacetate salt
CID 16212752
Matraxetan
CID 66893931
2-(2-(Bis(carboxymethyl)amino)ethyl-(2-(2-(2,5-dioxopyrrol-1-yl)ethylamino)-2-oxoethyl)amino)acetic acid
CID 29982814
N-Acryloylglycylglycine
CID 20493959
Maleimide-NOTA
CID 89884074
Maleoylglycine
CID 100915606
N-(2-aminoethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 124091649
2-amino-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid
CID 156064194
N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dioxopyrrol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 172820590
Fumaryldi-glycin
CID 91619288
CID 139064260
CID 139064260
N-acryloylglycylglycine monohydrate
CID 139073716

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid (CID 70915013) is 2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid is O=C(O)CNCC(=O)NCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid?
The InChIKey is BBOQQRZHTHGQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c14-7(5-11-6-10(17)18)12-3-4-13-8(15)1-2-9(13)16/h1-2,11H,3-6H2,(H,12,14)(H,17,18).
What are the key properties of 2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid?
2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid has a molecular weight of 255.23 g/mol, XLogP of -2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 70915013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).