(3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate

C6H9NO3 — CID 139579440

IUPAC(3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate
SMILES[NH3+][C@H]1CC(C(=O)[O-])=C[C@@H]1O
InChIInChI=1S/C6H9NO3/c7-4-1-3(6(9)10)2-5(4)8/h2,4-5,8H,1,7H2,(H,9,10)/t4-,5-/m0/s1
InChIKeyLKYCCARKSDKHBJ-WHFBIAKZSA-N
MW143.14 g/mol
LogP-2.96
Rot. Bonds1

About (3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate

(3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate (PubChem CID 139579440) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate.

Molecular Properties

Compound Name(3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate
PubChem CID139579440
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate
SMILES[NH3+][C@H]1CC(C(=O)[O-])=C[C@@H]1O
InChIInChI=1S/C6H9NO3/c7-4-1-3(6(9)10)2-5(4)8/h2,4-5,8H,1,7H2,(H,9,10)/t4-,5-/m0/s1
InChIKeyLKYCCARKSDKHBJ-WHFBIAKZSA-N
XLogP-2.96
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-2.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate?
The IUPAC name of (3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate (CID 139579440) is (3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate.
What is the SMILES notation for (3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate?
The canonical SMILES for (3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate is [NH3+][C@H]1CC(C(=O)[O-])=C[C@@H]1O.
What is the InChIKey of (3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate?
The InChIKey is LKYCCARKSDKHBJ-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H9NO3/c7-4-1-3(6(9)10)2-5(4)8/h2,4-5,8H,1,7H2,(H,9,10)/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate?
(3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate has a molecular weight of 143.14 g/mol, XLogP of -2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate is sourced from PubChem (CID 139579440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).