sodium;(cyclohexylamino) acetate;hydride

C8H16NNaO2 — CID 174740785

IUPACsodium;(cyclohexylamino) acetate;hydride
SMILESCC(=O)ONC1CCCCC1.[H-].[Na+]
InChIInChI=1S/C8H15NO2.Na.H/c1-7(10)11-9-8-5-3-2-4-6-8;;/h8-9H,2-6H2,1H3;;/q;+1;-1
InChIKeyBYAWSHADHGVWRQ-UHFFFAOYSA-N
MW181.21 g/mol
LogP-1.50
Rot. Bonds2

About sodium;(cyclohexylamino) acetate;hydride

sodium;(cyclohexylamino) acetate;hydride (PubChem CID 174740785) has the molecular formula C8H16NNaO2 and a molecular weight of 181.21 g/mol. Its IUPAC name is sodium;(cyclohexylamino) acetate;hydride.

Molecular Properties

Compound Namesodium;(cyclohexylamino) acetate;hydride
PubChem CID174740785
Molecular FormulaC8H16NNaO2
Molecular Weight181.21 g/mol
Exact Mass181.11
IUPAC Namesodium;(cyclohexylamino) acetate;hydride
SMILESCC(=O)ONC1CCCCC1.[H-].[Na+]
InChIInChI=1S/C8H15NO2.Na.H/c1-7(10)11-9-8-5-3-2-4-6-8;;/h8-9H,2-6H2,1H3;;/q;+1;-1
InChIKeyBYAWSHADHGVWRQ-UHFFFAOYSA-N
XLogP-1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Acetic acid, compd. with cyclohexanamine (1:1)
CID 165593
Cyclohexylazanium acetate
CID 53431162
[(4,4-Difluorocyclohexyl)amino] acetate
CID 88912219
(Cyclohexylamino) acetate
CID 12482312
Cyclohexanamine;methyl acetate
CID 20342822
(Dodecan-3-ylamino) propanoate
CID 57218787
(Dodecan-2-ylamino) propanoate
CID 57253143
(6-Aminohexylamino) acetate
CID 86757233
CID 87751849
CID 87751849
(Cyclohexylamino) butanoate
CID 87913999
Amino acetate;cyclohexanamine
CID 90205802
(Hexylamino) propanoate
CID 91151716

Frequently Asked Questions

What is the IUPAC name of sodium;(cyclohexylamino) acetate;hydride?
The IUPAC name of sodium;(cyclohexylamino) acetate;hydride (CID 174740785) is sodium;(cyclohexylamino) acetate;hydride.
What is the SMILES notation for sodium;(cyclohexylamino) acetate;hydride?
The canonical SMILES for sodium;(cyclohexylamino) acetate;hydride is CC(=O)ONC1CCCCC1.[H-].[Na+].
What is the InChIKey of sodium;(cyclohexylamino) acetate;hydride?
The InChIKey is BYAWSHADHGVWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.Na.H/c1-7(10)11-9-8-5-3-2-4-6-8;;/h8-9H,2-6H2,1H3;;/q;+1;-1.
What are the key properties of sodium;(cyclohexylamino) acetate;hydride?
sodium;(cyclohexylamino) acetate;hydride has a molecular weight of 181.21 g/mol, XLogP of -1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(cyclohexylamino) acetate;hydride is sourced from PubChem (CID 174740785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).