[(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone

C11H21N3O2 — CID 167852632

IUPAC[(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone
SMILESN[C@@H]1CC[C@H](C(=O)N2CCNCC(O)C2)C1
InChIInChI=1S/C11H21N3O2/c12-9-2-1-8(5-9)11(16)14-4-3-13-6-10(15)7-14/h8-10,13,15H,1-7,12H2/t8-,9+,10?/m0/s1
InChIKeyQTOJVDFOWNUKTG-QIIDTADFSA-N
MW227.31 g/mol
LogP-1.09
Rot. Bonds1

About [(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone

[(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone (PubChem CID 167852632) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is [(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone
PubChem CID167852632
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name[(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone
SMILESN[C@@H]1CC[C@H](C(=O)N2CCNCC(O)C2)C1
InChIInChI=1S/C11H21N3O2/c12-9-2-1-8(5-9)11(16)14-4-3-13-6-10(15)7-14/h8-10,13,15H,1-7,12H2/t8-,9+,10?/m0/s1
InChIKeyQTOJVDFOWNUKTG-QIIDTADFSA-N
XLogP-1.09
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminocyclopentyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107217532
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
(3-aminocyclopentyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 66032470
4-(3-aminocyclopentanecarbonyl)piperazin-2-one
CID 66030479
(4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone
CID 60849021
1-(3-aminocyclopentanecarbonyl)-1,4-diazepan-5-one
CID 66008813
1-(3-aminocyclopentanecarbonyl)piperidine-4-carboxamide
CID 66030476
1-(6-hydroxy-1,4-diazepan-1-yl)but-3-yn-1-one
CID 130542320
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844
(3-aminocyclopentyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119858264
(3-aminocyclopentyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 66032292

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone?
The IUPAC name of [(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone (CID 167852632) is [(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone is N[C@@H]1CC[C@H](C(=O)N2CCNCC(O)C2)C1.
What is the InChIKey of [(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone?
The InChIKey is QTOJVDFOWNUKTG-QIIDTADFSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-9-2-1-8(5-9)11(16)14-4-3-13-6-10(15)7-14/h8-10,13,15H,1-7,12H2/t8-,9+,10?/m0/s1.
What are the key properties of [(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone?
[(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone has a molecular weight of 227.31 g/mol, XLogP of -1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-aminocyclopentyl]-(6-hydroxy-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 167852632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).