2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid

C10H16N4O3 — CID 168655566

IUPAC2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C10H16N4O3/c1-2-3-8(10(16)17)14-6-7(4-9(14)15)5-12-13-11/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyGFNJAKPMRJELFQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.40
Rot. Bonds6

About 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid

2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid (PubChem CID 168655566) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
PubChem CID168655566
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CC(CN=[N+]=[N-])CC1=O
InChIInChI=1S/C10H16N4O3/c1-2-3-8(10(16)17)14-6-7(4-9(14)15)5-12-13-11/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyGFNJAKPMRJELFQ-UHFFFAOYSA-N
XLogP1.40
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid
CID 168655684
(2S)-2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-3-(4-methylphenyl)propanoic acid
CID 168655640
(2S)-2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 168655452
(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680303
(2R)-2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-(4-hydroxyphenyl)acetic acid
CID 168655742
(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 59650074
(2S)-2-[(4S)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 67365791
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-(2-bromophenyl)acetic acid
CID 168655650
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]octanoic acid
CID 168506628
2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]octanoic acid
CID 168669302
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168674814
4-(azidomethyl)-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168655595

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid?
The IUPAC name of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid (CID 168655566) is 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid.
What is the SMILES notation for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid?
The canonical SMILES for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid is CCCC(C(=O)O)N1CC(CN=[N+]=[N-])CC1=O.
What is the InChIKey of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid?
The InChIKey is GFNJAKPMRJELFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-3-8(10(16)17)14-6-7(4-9(14)15)5-12-13-11/h7-8H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid?
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]pentanoic acid is sourced from PubChem (CID 168655566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).