cis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate

C6H11NO2 — CID 11882159

IUPACcis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate
SMILES[NH3+][C@@H]1CC[C@H](C(=O)[O-])C1
InChIInChI=1S/C6H11NO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m0/s1
InChIKeyMLLSSTJTARJLHK-CRCLSJGQSA-N
MW129.16 g/mol
LogP-1.85
Rot. Bonds1

About cis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate

cis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate (PubChem CID 11882159) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is cis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate
PubChem CID11882159
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namecis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate
SMILES[NH3+][C@@H]1CC[C@H](C(=O)[O-])C1
InChIInChI=1S/C6H11NO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m0/s1
InChIKeyMLLSSTJTARJLHK-CRCLSJGQSA-N
XLogP-1.85
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trisodium;cyclopropanecarboxylate
CID 141381064
azaniumylmethylazanium;cyclohexane-1,4-dicarboxylate
CID 163546448
calcium cyclohexane-1,3-dicarboxylate
CID 140879538
(4-carboxycyclohexyl)azanium
CID 4518459
potassium;1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate;cyclobutane;cyclopentane
CID 142046655
bis(cyclohexanecarboxylate);indium(3+);chloride
CID 160994257
indium(3+);tris(4-methylcyclohexane-1-carboxylate)
CID 22604168
cyclotetradecanecarboxylate
CID 140590492
azanium cyclobutanecarboxylate
CID 160775595
cyclohexylazanium;carbonate
CID 15793122
tris(cyclohexanecarboxylate);neodymium(3+)
CID 21259897
sodium 3-hydroxycyclobutane-1-carboxylate
CID 146154009

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate?
The IUPAC name of cis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate (CID 11882159) is cis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate?
The canonical SMILES for cis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate is [NH3+][C@@H]1CC[C@H](C(=O)[O-])C1.
What is the InChIKey of cis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate?
The InChIKey is MLLSSTJTARJLHK-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11NO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m0/s1.
What are the key properties of cis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate?
cis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate has a molecular weight of 129.16 g/mol, XLogP of -1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-azaniumylcyclopentane-1-carboxylate is sourced from PubChem (CID 11882159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).