4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid

C9H15N3O4 — CID 2810719

IUPAC4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid
SMILESO=C(O)CCC(=O)NCCN1CCNC1=O
InChIInChI=1S/C9H15N3O4/c13-7(1-2-8(14)15)10-3-5-12-6-4-11-9(12)16/h1-6H2,(H,10,13)(H,11,16)(H,14,15)
InChIKeyKFMVWANSQMQXOL-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.01
Rot. Bonds6

About 4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid

4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid (PubChem CID 2810719) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid
PubChem CID2810719
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid
SMILESO=C(O)CCC(=O)NCCN1CCNC1=O
InChIInChI=1S/C9H15N3O4/c13-7(1-2-8(14)15)10-3-5-12-6-4-11-9(12)16/h1-6H2,(H,10,13)(H,11,16)(H,14,15)
InChIKeyKFMVWANSQMQXOL-UHFFFAOYSA-N
XLogP-1.01
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,4'-(Ethylenediimino)bis(4-oxobutyric) acid
CID 90288
4-(2,5-Dioxo-imidazolidin-1-yl)-butyric acid
CID 2554535
3-Amino-4-oxo-4-((1-((1-pyrrolidinylcarbonyl)amino)ethyl)amino)butanoic acid
CID 382300
4-Oxo-4-(2-pyrrolidin-1-ylethylamino)butanoic acid
CID 3374180
4-[[4-Oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carbonyl]amino]butanoic acid
CID 122021922
4-[[4-Oxo-3-(2,2,2-trifluoroethyl)imidazolidine-1-carbonyl]amino]butanoic acid
CID 122022665
4-[[Methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid;2,2,2-trifluoroacetic acid
CID 146075538
2-(3-Isopropyl-2,5-dioxoimidazolidin-4-yl)acetic acid
CID 16394958
3-n-Butylhydantoin-5-acetic acid
CID 12942452
4-Oxo-4-(2-oxoimidazolidin-1-yl)butanoic acid
CID 14273524
4-Oxo-4-[3-(2-oxo-1-pyrrolidinyl)propylamino]butyric acid
CID 19895919
3-(4,5-Dioxoimidazolidin-2-yl)propanoic acid
CID 20074506

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid?
The IUPAC name of 4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid (CID 2810719) is 4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid?
The canonical SMILES for 4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid is O=C(O)CCC(=O)NCCN1CCNC1=O.
What is the InChIKey of 4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid?
The InChIKey is KFMVWANSQMQXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c13-7(1-2-8(14)15)10-3-5-12-6-4-11-9(12)16/h1-6H2,(H,10,13)(H,11,16)(H,14,15).
What are the key properties of 4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid?
4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid has a molecular weight of 229.24 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[2-(2-oxoimidazolidin-1-yl)ethylamino]butanoic acid is sourced from PubChem (CID 2810719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).