bis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate

C14H24N2O6 — CID 175006721

IUPACbis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate
SMILESN[C@H]1CC[C@@H](OC(=O)C(O)C(O)C(=O)O[C@@H]2CC[C@H](N)C2)C1
InChIInChI=1S/C14H24N2O6/c15-7-1-3-9(5-7)21-13(19)11(17)12(18)14(20)22-10-4-2-8(16)6-10/h7-12,17-18H,1-6,15-16H2/t7-,8-,9+,10+,11?,12?/m0/s1
InChIKeyFNSNSSUBAHGWMD-DNVZHSBJSA-N
MW316.35 g/mol
LogP-1.45
Rot. Bonds5

About bis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate

bis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate (PubChem CID 175006721) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is bis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namebis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate
PubChem CID175006721
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Namebis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate
SMILESN[C@H]1CC[C@@H](OC(=O)C(O)C(O)C(=O)O[C@@H]2CC[C@H](N)C2)C1
InChIInChI=1S/C14H24N2O6/c15-7-1-3-9(5-7)21-13(19)11(17)12(18)14(20)22-10-4-2-8(16)6-10/h7-12,17-18H,1-6,15-16H2/t7-,8-,9+,10+,11?,12?/m0/s1
InChIKeyFNSNSSUBAHGWMD-DNVZHSBJSA-N
XLogP-1.45
TPSA145.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate?
The IUPAC name of bis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate (CID 175006721) is bis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate.
What is the SMILES notation for bis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate?
The canonical SMILES for bis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate is N[C@H]1CC[C@@H](OC(=O)C(O)C(O)C(=O)O[C@@H]2CC[C@H](N)C2)C1.
What is the InChIKey of bis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate?
The InChIKey is FNSNSSUBAHGWMD-DNVZHSBJSA-N. The full InChI is InChI=1S/C14H24N2O6/c15-7-1-3-9(5-7)21-13(19)11(17)12(18)14(20)22-10-4-2-8(16)6-10/h7-12,17-18H,1-6,15-16H2/t7-,8-,9+,10+,11?,12?/m0/s1.
What are the key properties of bis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate?
bis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate has a molecular weight of 316.35 g/mol, XLogP of -1.45, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(1R,3S)-3-aminocyclopentyl] 2,3-dihydroxybutanedioate is sourced from PubChem (CID 175006721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).