2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid

C11H15N3O4 — CID 89111897

IUPAC2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid
SMILESC=C1C=CC(=O)N1CCNC(=O)CNCC(=O)O
InChIInChI=1S/C11H15N3O4/c1-8-2-3-10(16)14(8)5-4-13-9(15)6-12-7-11(17)18/h2-3,12H,1,4-7H2,(H,13,15)(H,17,18)
InChIKeyPTQCTOYZWBWZEG-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.31
Rot. Bonds7

About 2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid

2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid (PubChem CID 89111897) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid
PubChem CID89111897
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid
SMILESC=C1C=CC(=O)N1CCNC(=O)CNCC(=O)O
InChIInChI=1S/C11H15N3O4/c1-8-2-3-10(16)14(8)5-4-13-9(15)6-12-7-11(17)18/h2-3,12H,1,4-7H2,(H,13,15)(H,17,18)
InChIKeyPTQCTOYZWBWZEG-UHFFFAOYSA-N
XLogP-1.31
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid (CID 89111897) is 2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid is C=C1C=CC(=O)N1CCNC(=O)CNCC(=O)O.
What is the InChIKey of 2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid?
The InChIKey is PTQCTOYZWBWZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-8-2-3-10(16)14(8)5-4-13-9(15)6-12-7-11(17)18/h2-3,12H,1,4-7H2,(H,13,15)(H,17,18).
What are the key properties of 2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid?
2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid has a molecular weight of 253.26 g/mol, XLogP of -1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2-methylidene-5-oxopyrrol-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 89111897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).