4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid

C14H23N3O4 — CID 79381463

IUPAC4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCNC(=O)NC1CCC(C(=O)O)CC1)NC1CC1
InChIInChI=1S/C14H23N3O4/c18-12(16-10-5-6-10)7-8-15-14(21)17-11-3-1-9(2-4-11)13(19)20/h9-11H,1-8H2,(H,16,18)(H,19,20)(H2,15,17,21)
InChIKeyAQUQORMAYIXECC-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.60
Rot. Bonds6

About 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 79381463) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID79381463
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(CCNC(=O)NC1CCC(C(=O)O)CC1)NC1CC1
InChIInChI=1S/C14H23N3O4/c18-12(16-10-5-6-10)7-8-15-14(21)17-11-3-1-9(2-4-11)13(19)20/h9-11H,1-8H2,(H,16,18)(H,19,20)(H2,15,17,21)
InChIKeyAQUQORMAYIXECC-UHFFFAOYSA-N
XLogP0.60
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 79395809
4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid
CID 60808705
4-[3-(cyclopropylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 61161235
4-[2-(methylsulfamoyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106340446
4-[3-(cyclobutanecarbonylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122024453
4-(5,5-dimethylhexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122000907
4-(2-propan-2-yloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113450614
1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79400729
4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229008
4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid
CID 61160664
4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183538
4-(3-methylbut-2-enylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106191136

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 79381463) is 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(CCNC(=O)NC1CCC(C(=O)O)CC1)NC1CC1.
What is the InChIKey of 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is AQUQORMAYIXECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c18-12(16-10-5-6-10)7-8-15-14(21)17-11-3-1-9(2-4-11)13(19)20/h9-11H,1-8H2,(H,16,18)(H,19,20)(H2,15,17,21).
What are the key properties of 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79381463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).