[(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate

C7H12N2O3 — CID 156835139

IUPAC[(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)O[C@H]1CCNC1=O
InChIInChI=1S/C7H12N2O3/c1-4(8)7(11)12-5-2-3-9-6(5)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1
InChIKeyQQZDWNUUKIYUJE-WHFBIAKZSA-N
MW172.18 g/mol
LogP-1.23
Rot. Bonds2

About [(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate

[(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate (PubChem CID 156835139) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is [(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate
PubChem CID156835139
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name[(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)O[C@H]1CCNC1=O
InChIInChI=1S/C7H12N2O3/c1-4(8)7(11)12-5-2-3-9-6(5)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1
InChIKeyQQZDWNUUKIYUJE-WHFBIAKZSA-N
XLogP-1.23
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Hydroxy-3,4-dihydro-2H-pyrrol-3-yl acetate
CID 12365590
2-Oxopyrrolidin-3-yl acetate
CID 20452404
Ethyl pyrrolidone acetate
CID 122691995
[(3S)-5-oxopyrrolidin-3-yl] acetate
CID 126551320
1-(3-Aminopropyl)-2-pyrrolidone acetate
CID 132280456
[(3R)-5-oxopyrrolidin-3-yl] acetate
CID 10441804
3-Methoxypyrrolidin-2-one
CID 19894871
(2,5-Dioxopyrrolidin-3-yl) 2-acetamidoacetate
CID 21276654
(2,5-dioxopyrrolidin-3-yl) (2S)-2-aminopropanoate
CID 22864126
(S)-(-)-3-acetoxy-2-pyrrolidinone
CID 53985717
[(3R)-2-oxopyrrolidin-3-yl] acetate
CID 56615682
(2-oxopyrrolidin-3-yl) N-methylcarbamate
CID 67646384

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate?
The IUPAC name of [(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate (CID 156835139) is [(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate.
What is the SMILES notation for [(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate?
The canonical SMILES for [(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate is C[C@H](N)C(=O)O[C@H]1CCNC1=O.
What is the InChIKey of [(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate?
The InChIKey is QQZDWNUUKIYUJE-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-4(8)7(11)12-5-2-3-9-6(5)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1.
What are the key properties of [(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate?
[(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate has a molecular weight of 172.18 g/mol, XLogP of -1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxopyrrolidin-3-yl] (2S)-2-aminopropanoate is sourced from PubChem (CID 156835139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).