4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid

C11H19NO5 — CID 91018555

IUPAC4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(COCCO)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19NO5/c13-5-6-17-7-10(14)12-9-3-1-8(2-4-9)11(15)16/h8-9,13H,1-7H2,(H,12,14)(H,15,16)
InChIKeySIEBOZGNBBQWIT-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.25
Rot. Bonds6

About 4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 91018555) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID91018555
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(COCCO)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19NO5/c13-5-6-17-7-10(14)12-9-3-1-8(2-4-9)11(15)16/h8-9,13H,1-7H2,(H,12,14)(H,15,16)
InChIKeySIEBOZGNBBQWIT-UHFFFAOYSA-N
XLogP-0.25
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid 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

cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871
4-[2-(2-hydroxyethoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 61070332
4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 79473987
cis-(1S,3R)-3-[[2-(2-phenylethoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676768
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 79395809
cis-(1S,3R)-3-[(2-phenylmethoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 120675538
4-[3-(cyclopropylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 61161235
4-[2-(2-hydroxyethoxy)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 66983093
N-(4-chlorocyclohexyl)-2-ethoxyacetamide
CID 114297048
2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide
CID 86838704
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 79381463
cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120675923

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid (CID 91018555) is 4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(COCCO)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is SIEBOZGNBBQWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c13-5-6-17-7-10(14)12-9-3-1-8(2-4-9)11(15)16/h8-9,13H,1-7H2,(H,12,14)(H,15,16).
What are the key properties of 4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 91018555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).