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

C9H17N3O2 — CID 66567524

IUPACN-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CCN(C(=O)CN)C1
InChIInChI=1S/C9H17N3O2/c1-7(13)11(2)8-3-4-12(6-8)9(14)5-10/h8H,3-6,10H2,1-2H3/t8-/m1/s1
InChIKeyJMGNNBICSUQYKV-MRVPVSSYSA-N
MW199.25 g/mol
LogP-0.98
Rot. Bonds2

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

N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 66567524) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide
PubChem CID66567524
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CCN(C(=O)CN)C1
InChIInChI=1S/C9H17N3O2/c1-7(13)11(2)8-3-4-12(6-8)9(14)5-10/h8H,3-6,10H2,1-2H3/t8-/m1/s1
InChIKeyJMGNNBICSUQYKV-MRVPVSSYSA-N
XLogP-0.98
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[acetyl(methyl)amino]piperidine-1-carboxylic acid
CID 68806542
N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide
CID 66567560
2-amino-1-[(3S)-3-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96554851
N-[1-(2-amino-3-methylbutanoyl)pyrrolidin-3-yl]-N-methylacetamide
CID 77144249
N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylacetamide
CID 96554554
N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide
CID 155765572
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
ethane;N-(1-ethylpyrrolidin-3-yl)-N-methylacetamide
CID 163266627
N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide
CID 178115715
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
2-amino-1-[(3R)-3-[[cyclopropyl(methyl)amino]methyl]piperidin-1-yl]ethanone
CID 96555302
N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide
CID 60605726

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide (CID 66567524) is N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)[C@@H]1CCN(C(=O)CN)C1.
What is the InChIKey of N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is JMGNNBICSUQYKV-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(13)11(2)8-3-4-12(6-8)9(14)5-10/h8H,3-6,10H2,1-2H3/t8-/m1/s1.
What are the key properties of N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide?
N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 199.25 g/mol, XLogP of -0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 66567524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).