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

C9H14N4O4 — CID 168655684

IUPAC2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid
SMILES[N-]=[N+]=NCC1CC(=O)N(C(CCO)C(=O)O)C1
InChIInChI=1S/C9H14N4O4/c10-12-11-4-6-3-8(15)13(5-6)7(1-2-14)9(16)17/h6-7,14H,1-5H2,(H,16,17)
InChIKeyFVWZXAFDQFWQAX-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.02
Rot. Bonds6

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

2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid (PubChem CID 168655684) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid
PubChem CID168655684
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid
SMILES[N-]=[N+]=NCC1CC(=O)N(C(CCO)C(=O)O)C1
InChIInChI=1S/C9H14N4O4/c10-12-11-4-6-3-8(15)13(5-6)7(1-2-14)9(16)17/h6-7,14H,1-5H2,(H,16,17)
InChIKeyFVWZXAFDQFWQAX-UHFFFAOYSA-N
XLogP-0.02
TPSA126.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]pentanoic acid
CID 168655566
(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
(2R)-2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-(4-hydroxyphenyl)acetic acid
CID 168655742
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-2-(2-bromophenyl)acetic acid
CID 168655650
4-(azidomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
CID 168655705
4-(azidomethyl)-1-[3-hydroxy-1-(4-methoxyphenyl)propyl]pyrrolidin-2-one
CID 168655610
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid
CID 168713395
(2S)-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]pentanedioic acid
CID 168669478
(2S)-5-ethoxy-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-5-oxopentanoic acid
CID 168661674
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxypropanoic acid
CID 168674925
(2S)-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-5-(diaminomethylideneamino)pentanoic acid
CID 168506806

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid?
The IUPAC name of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid (CID 168655684) is 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid is [N-]=[N+]=NCC1CC(=O)N(C(CCO)C(=O)O)C1.
What is the InChIKey of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid?
The InChIKey is FVWZXAFDQFWQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c10-12-11-4-6-3-8(15)13(5-6)7(1-2-14)9(16)17/h6-7,14H,1-5H2,(H,16,17).
What are the key properties of 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid?
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid has a molecular weight of 242.23 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-hydroxybutanoic acid is sourced from PubChem (CID 168655684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).