(4S)-4-aminopyrazolidin-3-one

C3H7N3O — CID 28743020

IUPAC(4S)-4-aminopyrazolidin-3-one
SMILESN[C@H]1CNNC1=O
InChIInChI=1S/C3H7N3O/c4-2-1-5-6-3(2)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeyUHVYZFNUNCKZAU-REOHCLBHSA-N
MW101.11 g/mol
LogP-2.05
Rot. Bonds

About (4S)-4-aminopyrazolidin-3-one

(4S)-4-aminopyrazolidin-3-one (PubChem CID 28743020) has the molecular formula C3H7N3O and a molecular weight of 101.11 g/mol. Its IUPAC name is (4S)-4-aminopyrazolidin-3-one.

Molecular Properties

Compound Name(4S)-4-aminopyrazolidin-3-one
PubChem CID28743020
Molecular FormulaC3H7N3O
Molecular Weight101.11 g/mol
Exact Mass101.06
IUPAC Name(4S)-4-aminopyrazolidin-3-one
SMILESN[C@H]1CNNC1=O
InChIInChI=1S/C3H7N3O/c4-2-1-5-6-3(2)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeyUHVYZFNUNCKZAU-REOHCLBHSA-N
XLogP-2.05
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-aminopyrazolidin-3-one?
The IUPAC name of (4S)-4-aminopyrazolidin-3-one (CID 28743020) is (4S)-4-aminopyrazolidin-3-one.
What is the SMILES notation for (4S)-4-aminopyrazolidin-3-one?
The canonical SMILES for (4S)-4-aminopyrazolidin-3-one is N[C@H]1CNNC1=O.
What is the InChIKey of (4S)-4-aminopyrazolidin-3-one?
The InChIKey is UHVYZFNUNCKZAU-REOHCLBHSA-N. The full InChI is InChI=1S/C3H7N3O/c4-2-1-5-6-3(2)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1.
What are the key properties of (4S)-4-aminopyrazolidin-3-one?
(4S)-4-aminopyrazolidin-3-one has a molecular weight of 101.11 g/mol, XLogP of -2.05, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-aminopyrazolidin-3-one is sourced from PubChem (CID 28743020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).