2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide

C9H18N2O — CID 90442555

IUPAC2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N[C@@H]1CCN(C)C1
InChIInChI=1S/C9H18N2O/c1-7(2)9(12)10-8-4-5-11(3)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1
InChIKeyBYPOIHNHAJVMAW-MRVPVSSYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds2

About 2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide

2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide (PubChem CID 90442555) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
PubChem CID90442555
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N[C@@H]1CCN(C)C1
InChIInChI=1S/C9H18N2O/c1-7(2)9(12)10-8-4-5-11(3)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1
InChIKeyBYPOIHNHAJVMAW-MRVPVSSYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497
2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101
(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 61465199
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945
N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
CID 167206837
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
CID 18722887
N-(1-cyclopentylpyrrolidin-3-yl)-2-methylpropanamide
CID 110459860
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 76925984
2-hydroxy-N-(1-methylpiperidin-4-yl)propanamide
CID 115140450
ethane;methoxymethane;N-(1-methylpyrrolidin-3-yl)acetamide
CID 169257856

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide (CID 90442555) is 2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide is CC(C)C(=O)N[C@@H]1CCN(C)C1.
What is the InChIKey of 2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide?
The InChIKey is BYPOIHNHAJVMAW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)9(12)10-8-4-5-11(3)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1.
What are the key properties of 2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide?
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide has a molecular weight of 170.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 90442555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).