(3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride

C4H9ClN2O2 — CID 170170449

IUPAC(3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride
SMILESCl.N[C@H]1C(=O)NC[C@H]1O
InChIInChI=1S/C4H8N2O2.ClH/c5-3-2(7)1-6-4(3)8;/h2-3,7H,1,5H2,(H,6,8);1H/t2-,3-;/m1./s1
InChIKeyQUWCFZKLRRRJDN-SWLXLVAMSA-N
MW152.58 g/mol
LogP-1.77
Rot. Bonds

About (3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride

(3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride (PubChem CID 170170449) has the molecular formula C4H9ClN2O2 and a molecular weight of 152.58 g/mol. Its IUPAC name is (3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride
PubChem CID170170449
Molecular FormulaC4H9ClN2O2
Molecular Weight152.58 g/mol
Exact Mass152.04
IUPAC Name(3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride
SMILESCl.N[C@H]1C(=O)NC[C@H]1O
InChIInChI=1S/C4H8N2O2.ClH/c5-3-2(7)1-6-4(3)8;/h2-3,7H,1,5H2,(H,6,8);1H/t2-,3-;/m1./s1
InChIKeyQUWCFZKLRRRJDN-SWLXLVAMSA-N
XLogP-1.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride?
The IUPAC name of (3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride (CID 170170449) is (3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride.
What is the SMILES notation for (3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride?
The canonical SMILES for (3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride is Cl.N[C@H]1C(=O)NC[C@H]1O.
What is the InChIKey of (3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride?
The InChIKey is QUWCFZKLRRRJDN-SWLXLVAMSA-N. The full InChI is InChI=1S/C4H8N2O2.ClH/c5-3-2(7)1-6-4(3)8;/h2-3,7H,1,5H2,(H,6,8);1H/t2-,3-;/m1./s1.
What are the key properties of (3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride?
(3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride has a molecular weight of 152.58 g/mol, XLogP of -1.77, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 170170449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).