[(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium

C10H20NO3+ — CID 23238904

IUPAC[(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium
SMILESCO[C@H]1CCCC[C@@]1(C[NH3+])CC(=O)O
InChIInChI=1S/C10H19NO3/c1-14-8-4-2-3-5-10(8,7-11)6-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/p+1/t8-,10-/m0/s1
InChIKeyGKTZBIMTCLCAFP-WPRPVWTQSA-O
MW202.27 g/mol
LogP0.28
Rot. Bonds4

About [(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium

[(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium (PubChem CID 23238904) has the molecular formula C10H20NO3+ and a molecular weight of 202.27 g/mol. Its IUPAC name is [(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium.

Molecular Properties

Compound Name[(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium
PubChem CID23238904
Molecular FormulaC10H20NO3+
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name[(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium
SMILESCO[C@H]1CCCC[C@@]1(C[NH3+])CC(=O)O
InChIInChI=1S/C10H19NO3/c1-14-8-4-2-3-5-10(8,7-11)6-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/p+1/t8-,10-/m0/s1
InChIKeyGKTZBIMTCLCAFP-WPRPVWTQSA-O
XLogP0.28
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium?
The IUPAC name of [(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium (CID 23238904) is [(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium.
What is the SMILES notation for [(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium?
The canonical SMILES for [(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium is CO[C@H]1CCCC[C@@]1(C[NH3+])CC(=O)O.
What is the InChIKey of [(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium?
The InChIKey is GKTZBIMTCLCAFP-WPRPVWTQSA-O. The full InChI is InChI=1S/C10H19NO3/c1-14-8-4-2-3-5-10(8,7-11)6-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/p+1/t8-,10-/m0/s1.
What are the key properties of [(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium?
[(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium has a molecular weight of 202.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-(carboxymethyl)-2-methoxycyclohexyl]methylazanium is sourced from PubChem (CID 23238904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).