2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid

C14H27N3O3 — CID 64701811

IUPAC2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
SMILESCN(C)CCCNC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H27N3O3/c1-17(2)10-6-9-15-13(20)16-14(11-12(18)19)7-4-3-5-8-14/h3-11H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyJOUAYNFKFGUGKE-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.41
Rot. Bonds7

About 2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid

2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid (PubChem CID 64701811) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
PubChem CID64701811
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
SMILESCN(C)CCCNC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H27N3O3/c1-17(2)10-6-9-15-13(20)16-14(11-12(18)19)7-4-3-5-8-14/h3-11H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyJOUAYNFKFGUGKE-UHFFFAOYSA-N
XLogP1.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
CID 64700433
2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid
CID 79850980
2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid
CID 64699672
2-[1-(2-methylsulfanylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64701496
2-[1-[2-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64700507
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid
CID 64701993
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-(2-cyclopentylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700859
2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid
CID 106191220
2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid
CID 106239741
2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid
CID 64701906

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid (CID 64701811) is 2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid is CN(C)CCCNC(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid?
The InChIKey is JOUAYNFKFGUGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-17(2)10-6-9-15-13(20)16-14(11-12(18)19)7-4-3-5-8-14/h3-11H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid?
2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid has a molecular weight of 285.39 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 64701811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).