2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide

C10H20N2O — CID 58679843

IUPAC2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
SMILESCN1CC[C@H](NC(=O)C(C)(C)C)C1
InChIInChI=1S/C10H20N2O/c1-10(2,3)9(13)11-8-5-6-12(4)7-8/h8H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyJGVVWAWHDSOYGZ-QMMMGPOBSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds1

About 2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide

2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide (PubChem CID 58679843) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
PubChem CID58679843
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
SMILESCN1CC[C@H](NC(=O)C(C)(C)C)C1
InChIInChI=1S/C10H20N2O/c1-10(2,3)9(13)11-8-5-6-12(4)7-8/h8H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1
InChIKeyJGVVWAWHDSOYGZ-QMMMGPOBSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 65269836
2-amino-2-ethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79814600
2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide
CID 103733776
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
CID 18722887
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497
tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate
CID 171505314
N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542085
ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide
CID 169257856
2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101
3-[(1-methylpyrrolidin-3-yl)amino]-2,3-dioxopropanoic acid
CID 131203416
2-[tert-butyl-[(1-methylpyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 79257255

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide (CID 58679843) is 2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide is CN1CC[C@H](NC(=O)C(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide?
The InChIKey is JGVVWAWHDSOYGZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)9(13)11-8-5-6-12(4)7-8/h8H,5-7H2,1-4H3,(H,11,13)/t8-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide?
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide has a molecular weight of 184.28 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 58679843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).