2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide

C8H17N3O — CID 66565800

IUPAC2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
SMILESCN1CC[C@H](N(C)C(=O)CN)C1
InChIInChI=1S/C8H17N3O/c1-10-4-3-7(6-10)11(2)8(12)5-9/h7H,3-6,9H2,1-2H3/t7-/m0/s1
InChIKeyHQHYLLFIIYZJJP-ZETCQYMHSA-N
MW171.24 g/mol
LogP-0.89
Rot. Bonds2

About 2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide

2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide (PubChem CID 66565800) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
PubChem CID66565800
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
SMILESCN1CC[C@H](N(C)C(=O)CN)C1
InChIInChI=1S/C8H17N3O/c1-10-4-3-7(6-10)11(2)8(12)5-9/h7H,3-6,9H2,1-2H3/t7-/m0/s1
InChIKeyHQHYLLFIIYZJJP-ZETCQYMHSA-N
XLogP-0.89
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 115157304
4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 115151057
N-methyl-N-(1-methylpyrrolidin-3-yl)-3-oxopentanamide
CID 59675990
3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115154624
1-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 115182657
3-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115173733
2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 63613912
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-amino-N-methyl-N-(thian-4-yl)acetamide
CID 121203600
4-amino-N-methyl-N-(1-methylpiperidin-4-yl)butanamide
CID 60731508
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide (CID 66565800) is 2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide is CN1CC[C@H](N(C)C(=O)CN)C1.
What is the InChIKey of 2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide?
The InChIKey is HQHYLLFIIYZJJP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10-4-3-7(6-10)11(2)8(12)5-9/h7H,3-6,9H2,1-2H3/t7-/m0/s1.
What are the key properties of 2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide?
2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide has a molecular weight of 171.24 g/mol, XLogP of -0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 66565800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).