3-amino-1-hydroxypyrrolidin-2-one

C4H8N2O2 — CID 1232

IUPAC3-amino-1-hydroxypyrrolidin-2-one
SMILESNC1CCN(O)C1=O
InChIInChI=1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2
InChIKeyHCKUBNLZMKAEIN-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.06
Rot. Bonds

About 3-amino-1-hydroxypyrrolidin-2-one

3-amino-1-hydroxypyrrolidin-2-one (PubChem CID 1232) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 3-amino-1-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-hydroxypyrrolidin-2-one
PubChem CID1232
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name3-amino-1-hydroxypyrrolidin-2-one
SMILESNC1CCN(O)C1=O
InChIInChI=1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2
InChIKeyHCKUBNLZMKAEIN-UHFFFAOYSA-N
XLogP-1.06
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-1-hydroxypyrrolidin-2-one
CID 6603720
(3R,4R)-3-Amino-1-hydroxy-4-methylpyrrolidin-2-one
CID 10313147
(3S)-3-aminopyrrolidin-2-one
CID 12430456
L 687414
CID 125556
[(1R)-1-[(3S)-3-amino-2-oxopyrrolidin-1-yl]ethyl]boronic acid
CID 16658881
[(1R)-1-[(3R)-3-amino-2-oxopyrrolidin-1-yl]ethyl]boronic acid
CID 16658917
(3R)-3-Aminopyrrolidin-2-one
CID 21969418
3-Aminopyrrolidin-2-one
CID 10486805
(3S)-3-Amino-1-hydroxy-2-pyrrolidinone
CID 183351
3-Aminopyrrolidin-2-one hydrochloride
CID 21696835
3-Amino-1-(propan-2-yl)pyrrolidin-2-one
CID 23588961
(3S)-3-aminopyrrolidin-2-one hydrochloride
CID 53302067

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-hydroxypyrrolidin-2-one?
The IUPAC name of 3-amino-1-hydroxypyrrolidin-2-one (CID 1232) is 3-amino-1-hydroxypyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-hydroxypyrrolidin-2-one?
The canonical SMILES for 3-amino-1-hydroxypyrrolidin-2-one is NC1CCN(O)C1=O.
What is the InChIKey of 3-amino-1-hydroxypyrrolidin-2-one?
The InChIKey is HCKUBNLZMKAEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-3-1-2-6(8)4(3)7/h3,8H,1-2,5H2.
What are the key properties of 3-amino-1-hydroxypyrrolidin-2-one?
3-amino-1-hydroxypyrrolidin-2-one has a molecular weight of 116.12 g/mol, XLogP of -1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-hydroxypyrrolidin-2-one is sourced from PubChem (CID 1232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).