5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid

C9H16N2O3 — CID 168700114

IUPAC5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid
SMILESNC1CC(=O)N(CCCCC(=O)O)C1
InChIInChI=1S/C9H16N2O3/c10-7-5-8(12)11(6-7)4-2-1-3-9(13)14/h7H,1-6,10H2,(H,13,14)
InChIKeyLYVTZMSZQGPKKU-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.20
Rot. Bonds5

About 5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid

5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid (PubChem CID 168700114) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid
PubChem CID168700114
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid
SMILESNC1CC(=O)N(CCCCC(=O)O)C1
InChIInChI=1S/C9H16N2O3/c10-7-5-8(12)11(6-7)4-2-1-3-9(13)14/h7H,1-6,10H2,(H,13,14)
InChIKeyLYVTZMSZQGPKKU-UHFFFAOYSA-N
XLogP-0.20
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid (CID 168700114) is 5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid is NC1CC(=O)N(CCCCC(=O)O)C1.
What is the InChIKey of 5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid?
The InChIKey is LYVTZMSZQGPKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-7-5-8(12)11(6-7)4-2-1-3-9(13)14/h7H,1-6,10H2,(H,13,14).
What are the key properties of 5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid?
5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 168700114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).