sodium;2-(cyclohexylamino)acetic acid;hydroxide

C8H16NNaO3 — CID 164959041

IUPACsodium;2-(cyclohexylamino)acetic acid;hydroxide
SMILESO=C(O)CNC1CCCCC1.[Na+].[OH-]
InChIInChI=1S/C8H15NO2.Na.H2O/c10-8(11)6-9-7-4-2-1-3-5-7;;/h7,9H,1-6H2,(H,10,11);;1H2/q;+1;/p-1
InChIKeyBOMAOVZGNNUXRD-UHFFFAOYSA-M
MW197.21 g/mol
LogP-2.18
Rot. Bonds3

About sodium;2-(cyclohexylamino)acetic acid;hydroxide

sodium;2-(cyclohexylamino)acetic acid;hydroxide (PubChem CID 164959041) has the molecular formula C8H16NNaO3 and a molecular weight of 197.21 g/mol. Its IUPAC name is sodium;2-(cyclohexylamino)acetic acid;hydroxide.

Molecular Properties

Compound Namesodium;2-(cyclohexylamino)acetic acid;hydroxide
PubChem CID164959041
Molecular FormulaC8H16NNaO3
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Namesodium;2-(cyclohexylamino)acetic acid;hydroxide
SMILESO=C(O)CNC1CCCCC1.[Na+].[OH-]
InChIInChI=1S/C8H15NO2.Na.H2O/c10-8(11)6-9-7-4-2-1-3-5-7;;/h7,9H,1-6H2,(H,10,11);;1H2/q;+1;/p-1
InChIKeyBOMAOVZGNNUXRD-UHFFFAOYSA-M
XLogP-2.18
TPSA79.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-2.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze sodium;2-(cyclohexylamino)acetic acid;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexylamino)acetic acid;cyclopentanecarboxylic acid
CID 174421767
2-(cyclopropylamino)acetic acid
CID 21197388
2-[[2-(cyclopentylamino)acetyl]amino]acetic acid
CID 61158187
2-(cyclohexylamino)acetamide
CID 13444045
2-[(cycloheptylamino)methyl]prop-2-enoic acid
CID 103237247
2-[3-(cyclohexylamino)propylamino]acetic acid
CID 172685431
2-(thian-4-ylamino)acetic acid
CID 43511382
2-(cyclooctylamino)-N-methylacetamide
CID 28575796
2-(thian-3-ylamino)acetic acid
CID 62872146
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid
CID 43774214
2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid
CID 160746773
2-[(1-cyclohexylpyrrolidin-3-yl)amino]acetic acid
CID 117004164

Frequently Asked Questions

What is the IUPAC name of sodium;2-(cyclohexylamino)acetic acid;hydroxide?
The IUPAC name of sodium;2-(cyclohexylamino)acetic acid;hydroxide (CID 164959041) is sodium;2-(cyclohexylamino)acetic acid;hydroxide.
What is the SMILES notation for sodium;2-(cyclohexylamino)acetic acid;hydroxide?
The canonical SMILES for sodium;2-(cyclohexylamino)acetic acid;hydroxide is O=C(O)CNC1CCCCC1.[Na+].[OH-].
What is the InChIKey of sodium;2-(cyclohexylamino)acetic acid;hydroxide?
The InChIKey is BOMAOVZGNNUXRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15NO2.Na.H2O/c10-8(11)6-9-7-4-2-1-3-5-7;;/h7,9H,1-6H2,(H,10,11);;1H2/q;+1;/p-1.
What are the key properties of sodium;2-(cyclohexylamino)acetic acid;hydroxide?
sodium;2-(cyclohexylamino)acetic acid;hydroxide has a molecular weight of 197.21 g/mol, XLogP of -2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(cyclohexylamino)acetic acid;hydroxide is sourced from PubChem (CID 164959041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).