2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid

C13H23N3O4 — CID 64699672

IUPAC2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid
SMILESCN(C)C(=O)CNC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H23N3O4/c1-16(2)10(17)9-14-12(20)15-13(8-11(18)19)6-4-3-5-7-13/h3-9H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyYVHINFNAMQNGEZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.55
Rot. Bonds5

About 2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid

2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid (PubChem CID 64699672) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid
PubChem CID64699672
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid
SMILESCN(C)C(=O)CNC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H23N3O4/c1-16(2)10(17)9-14-12(20)15-13(8-11(18)19)6-4-3-5-7-13/h3-9H2,1-2H3,(H,18,19)(H2,14,15,20)
InChIKeyYVHINFNAMQNGEZ-UHFFFAOYSA-N
XLogP0.55
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid
CID 64701993
2-[1-[2-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64700507
2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64701811
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid
CID 114617990
2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79846292
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-(2-methylsulfanylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64701496
2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid
CID 106191220
2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid
CID 64701906
2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
CID 64700433
2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid
CID 79850980

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid (CID 64699672) is 2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid is CN(C)C(=O)CNC(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid?
The InChIKey is YVHINFNAMQNGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-16(2)10(17)9-14-12(20)15-13(8-11(18)19)6-4-3-5-7-13/h3-9H2,1-2H3,(H,18,19)(H2,14,15,20).
What are the key properties of 2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid?
2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 64699672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).