3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid

C14H25N3O4 — CID 63041946

IUPAC3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCN(CC(=O)NC)C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-3-7-17(9-12(18)15-2)14(21)16-11-6-4-5-10(8-11)13(19)20/h10-11H,3-9H2,1-2H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyDMYBHDFIGAXIBL-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.80
Rot. Bonds6

About 3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid

3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63041946) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63041946
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCN(CC(=O)NC)C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-3-7-17(9-12(18)15-2)14(21)16-11-6-4-5-10(8-11)13(19)20/h10-11H,3-9H2,1-2H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyDMYBHDFIGAXIBL-UHFFFAOYSA-N
XLogP0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092043
cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]azepane-2-carboxylic acid
CID 64562539
3-[[ethyl(2-ethylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63043366
2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid
CID 64741185
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107481913
3-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63042305
cis-(1R,3S)-3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319510
(2S,4R)-4-hydroxy-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842880
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
3-[[methyl(2-methylbutyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63044097
1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid (CID 63041946) is 3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid is CCCN(CC(=O)NC)C(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is DMYBHDFIGAXIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-7-17(9-12(18)15-2)14(21)16-11-6-4-5-10(8-11)13(19)20/h10-11H,3-9H2,1-2H3,(H,15,18)(H,16,21)(H,19,20).
What are the key properties of 3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63041946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).