1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone

C15H22N2O2 — CID 119934244

IUPAC1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccccc1CC(=O)N1CC[C@H](N)C1
InChIInChI=1S/C15H22N2O2/c1-11(2)19-14-6-4-3-5-12(14)9-15(18)17-8-7-13(16)10-17/h3-6,11,13H,7-10,16H2,1-2H3/t13-/m0/s1
InChIKeyVYPUFKFPYKGREE-ZDUSSCGKSA-N
MW262.35 g/mol
LogP1.58
Rot. Bonds4

About 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone

1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone (PubChem CID 119934244) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
PubChem CID119934244
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1ccccc1CC(=O)N1CC[C@H](N)C1
InChIInChI=1S/C15H22N2O2/c1-11(2)19-14-6-4-3-5-12(14)9-15(18)17-8-7-13(16)10-17/h3-6,11,13H,7-10,16H2,1-2H3/t13-/m0/s1
InChIKeyVYPUFKFPYKGREE-ZDUSSCGKSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone 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-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 124611306
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 124574868
(3R)-1-[(3R)-3-aminopyrrolidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one
CID 124686287
1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 146132579
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 95314197
2-(2-propan-2-yloxyphenyl)-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736686
(2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371810
1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 119354951
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 81469146
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
1-(3-amino-5-methylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 79993746

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone (CID 119934244) is 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone is CC(C)Oc1ccccc1CC(=O)N1CC[C@H](N)C1.
What is the InChIKey of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone?
The InChIKey is VYPUFKFPYKGREE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)19-14-6-4-3-5-12(14)9-15(18)17-8-7-13(16)10-17/h3-6,11,13H,7-10,16H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone?
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 119934244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).