N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide

C8H17N3O — CID 170394930

IUPACN-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
SMILESCNC(=O)CN1CC[C@H](NC)C1
InChIInChI=1S/C8H17N3O/c1-9-7-3-4-11(5-7)6-8(12)10-2/h7,9H,3-6H2,1-2H3,(H,10,12)/t7-/m0/s1
InChIKeyHOCYVQPVSJQHSX-ZETCQYMHSA-N
MW171.24 g/mol
LogP-0.97
Rot. Bonds3

About N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide

N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide (PubChem CID 170394930) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
PubChem CID170394930
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
SMILESCNC(=O)CN1CC[C@H](NC)C1
InChIInChI=1S/C8H17N3O/c1-9-7-3-4-11(5-7)6-8(12)10-2/h7,9H,3-6H2,1-2H3,(H,10,12)/t7-/m0/s1
InChIKeyHOCYVQPVSJQHSX-ZETCQYMHSA-N
XLogP-0.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 74958986
2-[(3R)-3-aminopyrrolidin-1-yl]-N-methylacetamide
CID 94340497
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119905819
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 130725600
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905800
2-[4-(heptan-4-ylamino)piperidin-1-yl]-N-methylacetamide
CID 43691450
N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine
CID 115300548
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 119923266
(2R,6R)-2,6-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]morpholine-4-carboxamide
CID 95287047
methyl 4-[[2-[3-(methylamino)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 113281991
N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493727

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide (CID 170394930) is N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide is CNC(=O)CN1CC[C@H](NC)C1.
What is the InChIKey of N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide?
The InChIKey is HOCYVQPVSJQHSX-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N3O/c1-9-7-3-4-11(5-7)6-8(12)10-2/h7,9H,3-6H2,1-2H3,(H,10,12)/t7-/m0/s1.
What are the key properties of N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide?
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide has a molecular weight of 171.24 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 170394930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).