4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid

C12H20N2O4 — CID 60808705

IUPAC4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid
SMILESCC(=O)NCCC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c1-8(15)13-7-6-11(16)14-10-4-2-9(3-5-10)12(17)18/h9-10H,2-7H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyFSOKIHLDMRSSJA-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.27
Rot. Bonds5

About 4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid

4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid (PubChem CID 60808705) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid
PubChem CID60808705
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid
SMILESCC(=O)NCCC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c1-8(15)13-7-6-11(16)14-10-4-2-9(3-5-10)12(17)18/h9-10H,2-7H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyFSOKIHLDMRSSJA-UHFFFAOYSA-N
XLogP0.27
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(3-acetamidopropanoylamino)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

4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 79381463
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 79395809
4-[3-(cyclopropylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 61161235
4-(5-methylhexanoylamino)cyclohexane-1-carboxylic acid
CID 115277307
1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79400729
N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide
CID 103515809
4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229008
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl-methylamino]acetic acid
CID 79400880
4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid
CID 61160664
4-(5-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 82852110
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
4-[(2-acetamidoethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532227

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid (CID 60808705) is 4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid is CC(=O)NCCC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is FSOKIHLDMRSSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(15)13-7-6-11(16)14-10-4-2-9(3-5-10)12(17)18/h9-10H,2-7H2,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid?
4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).