1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid

C13H24N6O5 — CID 159816684

IUPAC1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid
SMILESNCCN1CCNC1=O.O=C(O)CC(=O)NCCN1CCNC1=O
InChIInChI=1S/C8H13N3O4.C5H11N3O/c12-6(5-7(13)14)9-1-3-11-4-2-10-8(11)15;6-1-3-8-4-2-7-5(8)9/h1-5H2,(H,9,12)(H,10,15)(H,13,14);1-4,6H2,(H,7,9)
InChIKeyNLRXYMOMXLPEBW-UHFFFAOYSA-N
MW344.37 g/mol
LogP-2.43
Rot. Bonds7

About 1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid

1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid (PubChem CID 159816684) has the molecular formula C13H24N6O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid
PubChem CID159816684
Molecular FormulaC13H24N6O5
Molecular Weight344.37 g/mol
Exact Mass344.18
IUPAC Name1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid
SMILESNCCN1CCNC1=O.O=C(O)CC(=O)NCCN1CCNC1=O
InChIInChI=1S/C8H13N3O4.C5H11N3O/c12-6(5-7(13)14)9-1-3-11-4-2-10-8(11)15;6-1-3-8-4-2-7-5(8)9/h1-5H2,(H,9,12)(H,10,15)(H,13,14);1-4,6H2,(H,7,9)
InChIKeyNLRXYMOMXLPEBW-UHFFFAOYSA-N
XLogP-2.43
TPSA157.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 5-2.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(4,6-Dimethyl-2,5-dioxohexahydroimidazo[4,5-d]imidazol-1(2H)-yl)propanoic acid
CID 535877
3-Oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid
CID 71005819
3-[2-Carboxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanoic acid
CID 89863588
3-Imidazolidin-1-yl-3-oxopropanoic acid
CID 176305914
3-[(3aS,6aR)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]propanoic acid
CID 686188
3-[(3aR,6aR)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]propanoic acid
CID 686189
3-[(3aS,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]propanoic acid
CID 686190
3-[(3aR,6aS)-4,6-dimethyl-2,5-dioxo-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-3-yl]propanoic acid
CID 686191
3-[3-(2-Acetamidoethyl)-3-(2-carboxyethyl)-2-methylimidazolidin-3-ium-1-yl]propanoic acid
CID 57736111
3-[2-(Dimethylcarbamoylamino)ethylamino]-3-oxopropanoic acid
CID 83115394

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid?
The IUPAC name of 1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid (CID 159816684) is 1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid.
What is the SMILES notation for 1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid?
The canonical SMILES for 1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid is NCCN1CCNC1=O.O=C(O)CC(=O)NCCN1CCNC1=O.
What is the InChIKey of 1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid?
The InChIKey is NLRXYMOMXLPEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4.C5H11N3O/c12-6(5-7(13)14)9-1-3-11-4-2-10-8(11)15;6-1-3-8-4-2-7-5(8)9/h1-5H2,(H,9,12)(H,10,15)(H,13,14);1-4,6H2,(H,7,9).
What are the key properties of 1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid?
1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid has a molecular weight of 344.37 g/mol, XLogP of -2.43, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)imidazolidin-2-one;3-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethylamino]propanoic acid is sourced from PubChem (CID 159816684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).