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

C6H9NO3 — CID 153439504

IUPAC(3R,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-CRCLSJGQSA-N
MW143.14 g/mol
LogP-2.96
Rot. Bonds1

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

(3R,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate (PubChem CID 153439504) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (3R,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate.

Molecular Properties

Compound Name(3R,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate
PubChem CID153439504
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(3R,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-CRCLSJGQSA-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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Related Compounds

(3S,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate
CID 139579440
(3S,4S)-4-azaniumyl-3-fluorocyclopentene-1-carboxylate
CID 153439502
sodium;(3R,4R,5S)-4-acetamido-5-amino-3-hydroxycyclohexene-1-carboxylate;methane
CID 157076217
(3R,4R,5S)-4,5-diamino-3-hydroxycyclohexene-1-carboxylic acid
CID 68821914
(3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)cyclohexene-1-carboxylic acid
CID 15730597
3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 20686763
3-hydroxy-4,5-dimethylcyclohexene-1-carboxylic acid
CID 59477067
(2-azanidylcyclohexyl)azanide;platinum(4+);bis((3,4,5-trihydroxycyclohexene-1-carbonyl)oxidanium)
CID 5107317
(1S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid
CID 87931543
sodium 3-oxocyclohexene-1-carboxylate
CID 169189792
methyl (3R,4S,5R)-3,5-dihydroxy-4-methoxycyclohexene-1-carboxylate
CID 16756813
ethyl (3R,4S,5R)-3,4,5-trihydroxy(113C)cyclohexene-1-carboxylate
CID 10632002

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate?
The IUPAC name of (3R,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate (CID 153439504) is (3R,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate.
What is the SMILES notation for (3R,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate?
The canonical SMILES for (3R,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate is [NH3+][C@H]1CC(C(=O)[O-])=C[C@H]1O.
What is the InChIKey of (3R,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate?
The InChIKey is LKYCCARKSDKHBJ-CRCLSJGQSA-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 (3R,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate?
(3R,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 (3R,4S)-4-azaniumyl-3-hydroxycyclopentene-1-carboxylate is sourced from PubChem (CID 153439504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).