1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one

C10H20N2O2 — CID 103021399

IUPAC1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one
SMILESCOC(C)(C)CC(=O)N1CCC(N)C1
InChIInChI=1S/C10H20N2O2/c1-10(2,14-3)6-9(13)12-5-4-8(11)7-12/h8H,4-7,11H2,1-3H3
InChIKeyJOOXSXBSBSSXRL-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds3

About 1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one

1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one (PubChem CID 103021399) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one
PubChem CID103021399
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one
SMILESCOC(C)(C)CC(=O)N1CCC(N)C1
InChIInChI=1S/C10H20N2O2/c1-10(2,14-3)6-9(13)12-5-4-8(11)7-12/h8H,4-7,11H2,1-3H3
InChIKeyJOOXSXBSBSSXRL-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103017160
3-amino-1-(3-aminopyrrolidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 130609463
3-amino-1-[(3R)-3-aminopyrrolidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 131176631
3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 103018528
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103021611
2-[[1-(3-methoxy-3-methylbutanoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813693
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methoxy-3-methylbutan-1-one
CID 103021623
1-[(3S)-3-aminopyrrolidin-1-yl]-3,4,4-trimethylpentan-1-one;hydrochloride
CID 119934172
2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid
CID 103019290
5-[3-(aminomethyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62934768
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one?
The IUPAC name of 1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one (CID 103021399) is 1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one?
The canonical SMILES for 1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one is COC(C)(C)CC(=O)N1CCC(N)C1.
What is the InChIKey of 1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one?
The InChIKey is JOOXSXBSBSSXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,14-3)6-9(13)12-5-4-8(11)7-12/h8H,4-7,11H2,1-3H3.
What are the key properties of 1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one?
1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one is sourced from PubChem (CID 103021399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).