2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide

C10H21N3O2 — CID 64583951

IUPAC2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
SMILESCOCC1CCN(CCC(N)C(N)=O)C1
InChIInChI=1S/C10H21N3O2/c1-15-7-8-2-4-13(6-8)5-3-9(11)10(12)14/h8-9H,2-7,11H2,1H3,(H2,12,14)
InChIKeyJGAQLKNRFBYNBT-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.84
Rot. Bonds6

About 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide

2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide (PubChem CID 64583951) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
PubChem CID64583951
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
SMILESCOCC1CCN(CCC(N)C(N)=O)C1
InChIInChI=1S/C10H21N3O2/c1-15-7-8-2-4-13(6-8)5-3-9(11)10(12)14/h8-9H,2-7,11H2,1H3,(H2,12,14)
InChIKeyJGAQLKNRFBYNBT-UHFFFAOYSA-N
XLogP-0.84
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64599478
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine
CID 64570092
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 64581345
5-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64570689
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-ol
CID 64597053
1-[3-(methoxymethyl)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 64581992
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbutan-2-amine
CID 64568719
1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine
CID 131222845

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide?
The IUPAC name of 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide (CID 64583951) is 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide is COCC1CCN(CCC(N)C(N)=O)C1.
What is the InChIKey of 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide?
The InChIKey is JGAQLKNRFBYNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-15-7-8-2-4-13(6-8)5-3-9(11)10(12)14/h8-9H,2-7,11H2,1H3,(H2,12,14).
What are the key properties of 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide?
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide has a molecular weight of 215.30 g/mol, XLogP of -0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 64583951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).