4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one

C10H19N3O — CID 115302335

IUPAC4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one
SMILESN[C@H]1CCN(C2CCCNC(=O)C2)C1
InChIInChI=1S/C10H19N3O/c11-8-3-5-13(7-8)9-2-1-4-12-10(14)6-9/h8-9H,1-7,11H2,(H,12,14)/t8-,9?/m0/s1
InChIKeyIYDXLSLLDASBLE-IENPIDJESA-N
MW197.28 g/mol
LogP-0.31
Rot. Bonds1

About 4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one

4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one (PubChem CID 115302335) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one.

Molecular Properties

Compound Name4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one
PubChem CID115302335
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one
SMILESN[C@H]1CCN(C2CCCNC(=O)C2)C1
InChIInChI=1S/C10H19N3O/c11-8-3-5-13(7-8)9-2-1-4-12-10(14)6-9/h8-9H,1-7,11H2,(H,12,14)/t8-,9?/m0/s1
InChIKeyIYDXLSLLDASBLE-IENPIDJESA-N
XLogP-0.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-oxoazepan-4-yl)piperidin-3-yl]acetic acid
CID 63888494
3-(3-aminopyrrolidin-1-yl)cyclohexan-1-one
CID 79619295
4-(3,4-dihydroxypyrrolidin-1-yl)azepan-2-one
CID 106673017
4-(3-hydroxyazetidin-1-yl)azepan-2-one
CID 63888892
4-(3-piperazin-1-ylazetidin-1-yl)azepan-2-one
CID 66196759
1-(2-oxoazepan-4-yl)piperidine-3-carboxylic acid
CID 63888290
(4R)-4-aminoazepan-2-one
CID 18648126
3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-d][1,4]diazepin-2-one
CID 565959
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one
CID 63903892
4-[4-(3-aminopropoxy)piperidin-1-yl]azepan-2-one
CID 79737363
4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]azepan-2-one
CID 102682947
(3R)-1-cyclopentylpyrrolidin-3-amine;hydrochloride
CID 90422333

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one?
The IUPAC name of 4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one (CID 115302335) is 4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one.
What is the SMILES notation for 4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one?
The canonical SMILES for 4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one is N[C@H]1CCN(C2CCCNC(=O)C2)C1.
What is the InChIKey of 4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one?
The InChIKey is IYDXLSLLDASBLE-IENPIDJESA-N. The full InChI is InChI=1S/C10H19N3O/c11-8-3-5-13(7-8)9-2-1-4-12-10(14)6-9/h8-9H,1-7,11H2,(H,12,14)/t8-,9?/m0/s1.
What are the key properties of 4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one?
4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one has a molecular weight of 197.28 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-aminopyrrolidin-1-yl]azepan-2-one is sourced from PubChem (CID 115302335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).