(4R)-4-amino-2-methylpyrazolidin-3-one

C4H9N3O — CID 169148323

IUPAC(4R)-4-amino-2-methylpyrazolidin-3-one
SMILESCN1NC[C@@H](N)C1=O
InChIInChI=1S/C4H9N3O/c1-7-4(8)3(5)2-6-7/h3,6H,2,5H2,1H3/t3-/m1/s1
InChIKeyICEWXALXSWMFAR-GSVOUGTGSA-N
MW115.14 g/mol
LogP-1.71
Rot. Bonds

About (4R)-4-amino-2-methylpyrazolidin-3-one

(4R)-4-amino-2-methylpyrazolidin-3-one (PubChem CID 169148323) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is (4R)-4-amino-2-methylpyrazolidin-3-one.

Molecular Properties

Compound Name(4R)-4-amino-2-methylpyrazolidin-3-one
PubChem CID169148323
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name(4R)-4-amino-2-methylpyrazolidin-3-one
SMILESCN1NC[C@@H](N)C1=O
InChIInChI=1S/C4H9N3O/c1-7-4(8)3(5)2-6-7/h3,6H,2,5H2,1H3/t3-/m1/s1
InChIKeyICEWXALXSWMFAR-GSVOUGTGSA-N
XLogP-1.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-2-methylpyrazolidin-3-one?
The IUPAC name of (4R)-4-amino-2-methylpyrazolidin-3-one (CID 169148323) is (4R)-4-amino-2-methylpyrazolidin-3-one.
What is the SMILES notation for (4R)-4-amino-2-methylpyrazolidin-3-one?
The canonical SMILES for (4R)-4-amino-2-methylpyrazolidin-3-one is CN1NC[C@@H](N)C1=O.
What is the InChIKey of (4R)-4-amino-2-methylpyrazolidin-3-one?
The InChIKey is ICEWXALXSWMFAR-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H9N3O/c1-7-4(8)3(5)2-6-7/h3,6H,2,5H2,1H3/t3-/m1/s1.
What are the key properties of (4R)-4-amino-2-methylpyrazolidin-3-one?
(4R)-4-amino-2-methylpyrazolidin-3-one has a molecular weight of 115.14 g/mol, XLogP of -1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-2-methylpyrazolidin-3-one is sourced from PubChem (CID 169148323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).