3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid

C9H15N3O4 — CID 64895784

IUPAC3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
SMILESNC(CC(=O)O)C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C9H15N3O4/c10-6(3-8(14)15)9(16)11-4-5-1-2-7(13)12-5/h5-6H,1-4,10H2,(H,11,16)(H,12,13)(H,14,15)
InChIKeyMOZXFSPYYGGCIX-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.82
Rot. Bonds5

About 3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid

3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid (PubChem CID 64895784) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
PubChem CID64895784
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
SMILESNC(CC(=O)O)C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C9H15N3O4/c10-6(3-8(14)15)9(16)11-4-5-1-2-7(13)12-5/h5-6H,1-4,10H2,(H,11,16)(H,12,13)(H,14,15)
InChIKeyMOZXFSPYYGGCIX-UHFFFAOYSA-N
XLogP-1.82
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid?
The IUPAC name of 3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid (CID 64895784) is 3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid.
What is the SMILES notation for 3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid?
The canonical SMILES for 3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid is NC(CC(=O)O)C(=O)NCC1CCC(=O)N1.
What is the InChIKey of 3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid?
The InChIKey is MOZXFSPYYGGCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c10-6(3-8(14)15)9(16)11-4-5-1-2-7(13)12-5/h5-6H,1-4,10H2,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid?
3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid has a molecular weight of 229.24 g/mol, XLogP of -1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid is sourced from PubChem (CID 64895784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).