[(1S,3S)-1,3-dicarboxycyclohexyl]azanium

C8H14NO4+ — CID 23238239

IUPAC[(1S,3S)-1,3-dicarboxycyclohexyl]azanium
SMILES[NH3+][C@@]1(C(=O)O)CCC[C@H](C(=O)O)C1
InChIInChI=1S/C8H13NO4/c9-8(7(12)13)3-1-2-5(4-8)6(10)11/h5H,1-4,9H2,(H,10,11)(H,12,13)/p+1/t5-,8-/m0/s1
InChIKeyFOJYRYZUTAPBAJ-XNCJUZBTSA-O
MW188.20 g/mol
LogP-0.67
Rot. Bonds2

About [(1S,3S)-1,3-dicarboxycyclohexyl]azanium

[(1S,3S)-1,3-dicarboxycyclohexyl]azanium (PubChem CID 23238239) has the molecular formula C8H14NO4+ and a molecular weight of 188.20 g/mol. Its IUPAC name is [(1S,3S)-1,3-dicarboxycyclohexyl]azanium.

Molecular Properties

Compound Name[(1S,3S)-1,3-dicarboxycyclohexyl]azanium
PubChem CID23238239
Molecular FormulaC8H14NO4+
Molecular Weight188.20 g/mol
Exact Mass188.09
IUPAC Name[(1S,3S)-1,3-dicarboxycyclohexyl]azanium
SMILES[NH3+][C@@]1(C(=O)O)CCC[C@H](C(=O)O)C1
InChIInChI=1S/C8H13NO4/c9-8(7(12)13)3-1-2-5(4-8)6(10)11/h5H,1-4,9H2,(H,10,11)(H,12,13)/p+1/t5-,8-/m0/s1
InChIKeyFOJYRYZUTAPBAJ-XNCJUZBTSA-O
XLogP-0.67
TPSA102.24 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(9S)-spiro[4.5]decane-9-carboxylic acid
CID 67991694
(1-carboxycyclopentyl)azanium
CID 5231727
3-amino-3-methylcyclohexane-1-carboxylic acid
CID 76540994
1-azaspiro[2.5]octane-5-carboxylic acid
CID 89350897
(1-carboxycyclohexyl)azanium bromide
CID 110192622
trans-(1R,3S)-3-methyl-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 124680789
cyclopentanecarboxylic acid
CID 18840
3,3-dihydroxycyclopentane-1-carboxylic acid
CID 67929383
spiro[4.5]decane-3-carboxylic acid
CID 13443385
cyclohexanecarboxylic acid
CID 11286469
cyclopentanecarboxylic acid;indigane
CID 173230713
cyclotetracosanecarboxylic acid
CID 176986816

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-1,3-dicarboxycyclohexyl]azanium?
The IUPAC name of [(1S,3S)-1,3-dicarboxycyclohexyl]azanium (CID 23238239) is [(1S,3S)-1,3-dicarboxycyclohexyl]azanium.
What is the SMILES notation for [(1S,3S)-1,3-dicarboxycyclohexyl]azanium?
The canonical SMILES for [(1S,3S)-1,3-dicarboxycyclohexyl]azanium is [NH3+][C@@]1(C(=O)O)CCC[C@H](C(=O)O)C1.
What is the InChIKey of [(1S,3S)-1,3-dicarboxycyclohexyl]azanium?
The InChIKey is FOJYRYZUTAPBAJ-XNCJUZBTSA-O. The full InChI is InChI=1S/C8H13NO4/c9-8(7(12)13)3-1-2-5(4-8)6(10)11/h5H,1-4,9H2,(H,10,11)(H,12,13)/p+1/t5-,8-/m0/s1.
What are the key properties of [(1S,3S)-1,3-dicarboxycyclohexyl]azanium?
[(1S,3S)-1,3-dicarboxycyclohexyl]azanium has a molecular weight of 188.20 g/mol, XLogP of -0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-1,3-dicarboxycyclohexyl]azanium is sourced from PubChem (CID 23238239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).