(3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride

C5H9ClN2O3 — CID 171921039

IUPAC(3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.N[C@H]1C(=O)NC[C@H]1C(=O)O
InChIInChI=1S/C5H8N2O3.ClH/c6-3-2(5(9)10)1-7-4(3)8;/h2-3H,1,6H2,(H,7,8)(H,9,10);1H/t2-,3-;/m1./s1
InChIKeyPEAILULBSXLOQL-SWLXLVAMSA-N
MW180.59 g/mol
LogP-1.43
Rot. Bonds1

About (3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride

(3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 171921039) has the molecular formula C5H9ClN2O3 and a molecular weight of 180.59 g/mol. Its IUPAC name is (3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID171921039
Molecular FormulaC5H9ClN2O3
Molecular Weight180.59 g/mol
Exact Mass180.03
IUPAC Name(3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.N[C@H]1C(=O)NC[C@H]1C(=O)O
InChIInChI=1S/C5H8N2O3.ClH/c6-3-2(5(9)10)1-7-4(3)8;/h2-3H,1,6H2,(H,7,8)(H,9,10);1H/t2-,3-;/m1./s1
InChIKeyPEAILULBSXLOQL-SWLXLVAMSA-N
XLogP-1.43
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-amino-4-hydroxypyrrolidin-2-one;hydrochloride
CID 170170449
(3S,4S)-3-amino-4-hydroxypyrrolidin-2-one
CID 15484376
(3S,4R)-3-amino-4-hydroxypyrrolidin-2-one
CID 642676
(3S,4S)-4-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 131851987
(3S,4R)-3,4-diaminopyrrolidin-2-one
CID 55291509
4-methoxycarbonyl-5-oxopyrrolidine-3-carboxylic acid
CID 121340104
4-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
CID 70336587
(3R,4R,5R)-3-amino-4,5-dihydroxypiperidin-2-one
CID 14888092
(1R,5S,6S)-4-oxo-3-azabicyclo[3.2.1]octane-6-carboxylic acid
CID 98908289
(3S,4R)-3-methyl-4-prop-1-en-2-ylpyrrolidin-2-one
CID 89476528
(3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride
CID 11424235
(3S,4S)-4-methylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122163647

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of (3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride (CID 171921039) is (3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for (3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride is Cl.N[C@H]1C(=O)NC[C@H]1C(=O)O.
What is the InChIKey of (3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is PEAILULBSXLOQL-SWLXLVAMSA-N. The full InChI is InChI=1S/C5H8N2O3.ClH/c6-3-2(5(9)10)1-7-4(3)8;/h2-3H,1,6H2,(H,7,8)(H,9,10);1H/t2-,3-;/m1./s1.
What are the key properties of (3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride?
(3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 180.59 g/mol, XLogP of -1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 171921039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).