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

C14H22N2O4 — CID 79395809

IUPAC4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(CCNC(=O)C1CCC(C(=O)O)CC1)NC1CC1
InChIInChI=1S/C14H22N2O4/c17-12(16-11-5-6-11)7-8-15-13(18)9-1-3-10(4-2-9)14(19)20/h9-11H,1-8H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeySMUJNCSEEOTKMU-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.66
Rot. Bonds6

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

4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 79395809) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID79395809
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(CCNC(=O)C1CCC(C(=O)O)CC1)NC1CC1
InChIInChI=1S/C14H22N2O4/c17-12(16-11-5-6-11)7-8-15-13(18)9-1-3-10(4-2-9)14(19)20/h9-11H,1-8H2,(H,15,18)(H,16,17)(H,19,20)
InChIKeySMUJNCSEEOTKMU-UHFFFAOYSA-N
XLogP0.66
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 79381463
4-(3-acetamidopropanoylamino)cyclohexane-1-carboxylic acid
CID 60808705
4-[3-(cyclopropylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 61161235
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782655
4-[3-(cyclobutanecarbonylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122024453
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
CID 79526623
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 79401214
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

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 79395809) is 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(CCNC(=O)C1CCC(C(=O)O)CC1)NC1CC1.
What is the InChIKey of 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is SMUJNCSEEOTKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-12(16-11-5-6-11)7-8-15-13(18)9-1-3-10(4-2-9)14(19)20/h9-11H,1-8H2,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79395809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).