[(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid

C9H20NO2P — CID 25194925

IUPAC[(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid
SMILESCCCCP(=O)(O)[C@H]1CC[C@H](N)C1
InChIInChI=1S/C9H20NO2P/c1-2-3-6-13(11,12)9-5-4-8(10)7-9/h8-9H,2-7,10H2,1H3,(H,11,12)/t8-,9-/m0/s1
InChIKeyUQGQAMARAMOEID-IUCAKERBSA-N
MW205.24 g/mol
LogP1.94
Rot. Bonds4

About [(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid

[(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid (PubChem CID 25194925) has the molecular formula C9H20NO2P and a molecular weight of 205.24 g/mol. Its IUPAC name is [(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid.

Molecular Properties

Compound Name[(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid
PubChem CID25194925
Molecular FormulaC9H20NO2P
Molecular Weight205.24 g/mol
Exact Mass205.12
IUPAC Name[(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid
SMILESCCCCP(=O)(O)[C@H]1CC[C@H](N)C1
InChIInChI=1S/C9H20NO2P/c1-2-3-6-13(11,12)9-5-4-8(10)7-9/h8-9H,2-7,10H2,1H3,(H,11,12)/t8-,9-/m0/s1
InChIKeyUQGQAMARAMOEID-IUCAKERBSA-N
XLogP1.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

butyl(2-cyclopentylethyl)phosphinic acid
CID 134348808
(3-aminocyclobutyl)-methylphosphinic acid
CID 24895105
1-dibutylphosphoryl-3-ethylcyclohexane
CID 21320578
butyl(cyclopentylmethoxy)phosphinic acid
CID 87155036
butyl(methyl)phosphinic acid
CID 10909622
butylphosphonic acid;neodymium
CID 134499527
4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide
CID 62781325
cis-pentyl (1R,3S)-3-aminocyclopentane-1-carboxylate
CID 106323832
disodium;dodecylcyclobutane;hydride;phosphoric acid
CID 174480309
[butyl(hydroxy)phosphoryl]phosphonic acid
CID 23219870
[butyl(hydroxy)phosphoryl]azanide
CID 163826899
potassium;butylphosphonic acid;hydride
CID 174388690

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid?
The IUPAC name of [(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid (CID 25194925) is [(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid.
What is the SMILES notation for [(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid?
The canonical SMILES for [(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid is CCCCP(=O)(O)[C@H]1CC[C@H](N)C1.
What is the InChIKey of [(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid?
The InChIKey is UQGQAMARAMOEID-IUCAKERBSA-N. The full InChI is InChI=1S/C9H20NO2P/c1-2-3-6-13(11,12)9-5-4-8(10)7-9/h8-9H,2-7,10H2,1H3,(H,11,12)/t8-,9-/m0/s1.
What are the key properties of [(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid?
[(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid has a molecular weight of 205.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-aminocyclopentyl]-butylphosphinic acid is sourced from PubChem (CID 25194925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).