(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one

C8H16N2O2 — CID 170008578

IUPAC(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one
SMILESCOC[C@@H](N)C[C@@H]1CCNC1=O
InChIInChI=1S/C8H16N2O2/c1-12-5-7(9)4-6-2-3-10-8(6)11/h6-7H,2-5,9H2,1H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyXSDOOZIXSIMYIU-BQBZGAKWSA-N
MW172.23 g/mol
LogP-0.51
Rot. Bonds4

About (3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one

(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one (PubChem CID 170008578) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one
PubChem CID170008578
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one
SMILESCOC[C@@H](N)C[C@@H]1CCNC1=O
InChIInChI=1S/C8H16N2O2/c1-12-5-7(9)4-6-2-3-10-8(6)11/h6-7H,2-5,9H2,1H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyXSDOOZIXSIMYIU-BQBZGAKWSA-N
XLogP-0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one 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

3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 163323578
3-(2-hydroxy-3-methoxypropyl)azepan-2-one
CID 104679704
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
(3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one
CID 162695973
3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol
CID 171843230
methyl 2-(2,2-dimethylpropanoylamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 175531737
3-[2-(2-methoxyethoxy)ethyl]pyrrolidin-2-one
CID 104679374
3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one
CID 22976957
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
methyl (2S)-2-(aminoiodanuidylmethyl)-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate
CID 162479060
(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one
CID 163537974

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one (CID 170008578) is (3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one is COC[C@@H](N)C[C@@H]1CCNC1=O.
What is the InChIKey of (3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one?
The InChIKey is XSDOOZIXSIMYIU-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-12-5-7(9)4-6-2-3-10-8(6)11/h6-7H,2-5,9H2,1H3,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of (3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one?
(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one has a molecular weight of 172.23 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 170008578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).