2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide

C7H15N3O — CID 94340497

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CC[C@@H](N)C1
InChIInChI=1S/C7H15N3O/c1-9-7(11)5-10-3-2-6(8)4-10/h6H,2-5,8H2,1H3,(H,9,11)/t6-/m1/s1
InChIKeyORRIUBXRIGFDFL-ZCFIWIBFSA-N
MW157.22 g/mol
LogP-1.23
Rot. Bonds2

About 2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide

2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide (PubChem CID 94340497) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
PubChem CID94340497
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CC[C@@H](N)C1
InChIInChI=1S/C7H15N3O/c1-9-7(11)5-10-3-2-6(8)4-10/h6H,2-5,8H2,1H3,(H,9,11)/t6-/m1/s1
InChIKeyORRIUBXRIGFDFL-ZCFIWIBFSA-N
XLogP-1.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N-tert-butylacetamide
CID 81492142
2-(3-aminopyrrolidin-1-yl)-N-cyclopropylacetamide
CID 62067111
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114802503
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
2-[(3S)-3-aminopyrrolidin-1-yl]-N-pentan-3-ylacetamide
CID 81492736
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276
2-(3-aminopiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 61296110
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 130725600
ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate
CID 112707932
1-(3-aminopyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395094
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 115301859

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide (CID 94340497) is 2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide is CNC(=O)CN1CC[C@@H](N)C1.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is ORRIUBXRIGFDFL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15N3O/c1-9-7(11)5-10-3-2-6(8)4-10/h6H,2-5,8H2,1H3,(H,9,11)/t6-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide?
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 157.22 g/mol, XLogP of -1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 94340497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).