2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide

C7H12N2O3 — CID 90229138

IUPAC2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
SMILESCO[C@H]1CCN(C(=O)C(N)=O)C1
InChIInChI=1S/C7H12N2O3/c1-12-5-2-3-9(4-5)7(11)6(8)10/h5H,2-4H2,1H3,(H2,8,10)/t5-/m0/s1
InChIKeyGLDQDGJVLGEKLD-YFKPBYRVSA-N
MW172.18 g/mol
LogP-1.28
Rot. Bonds1

About 2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide

2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide (PubChem CID 90229138) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
PubChem CID90229138
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
SMILESCO[C@H]1CCN(C(=O)C(N)=O)C1
InChIInChI=1S/C7H12N2O3/c1-12-5-2-3-9(4-5)7(11)6(8)10/h5H,2-4H2,1H3,(H2,8,10)/t5-/m0/s1
InChIKeyGLDQDGJVLGEKLD-YFKPBYRVSA-N
XLogP-1.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide
CID 90229085
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
methyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 58826696
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
(3R)-3-methoxy-N-methylpyrrolidine-1-carboxamide
CID 130636410
(1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate
CID 70427418
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
(1-aminocyclopropyl)-[(3R)-3-methoxypyrrolidin-1-yl]methanone;hydrochloride
CID 130609691
(4-aminocyclopent-2-en-1-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532882
[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 131201233

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide (CID 90229138) is 2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide is CO[C@H]1CCN(C(=O)C(N)=O)C1.
What is the InChIKey of 2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide?
The InChIKey is GLDQDGJVLGEKLD-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-12-5-2-3-9(4-5)7(11)6(8)10/h5H,2-4H2,1H3,(H2,8,10)/t5-/m0/s1.
What are the key properties of 2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide?
2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide has a molecular weight of 172.18 g/mol, XLogP of -1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 90229138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).