4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid

C15H26N2O4 — CID 115440584

IUPAC4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid
SMILESCC1CCC(NC(=O)NCC2(C(=O)O)CCOCC2)C1C
InChIInChI=1S/C15H26N2O4/c1-10-3-4-12(11(10)2)17-14(20)16-9-15(13(18)19)5-7-21-8-6-15/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyJGXOFTRYDUSRJL-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.60
Rot. Bonds4

About 4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid

4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid (PubChem CID 115440584) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid
PubChem CID115440584
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid
SMILESCC1CCC(NC(=O)NCC2(C(=O)O)CCOCC2)C1C
InChIInChI=1S/C15H26N2O4/c1-10-3-4-12(11(10)2)17-14(20)16-9-15(13(18)19)5-7-21-8-6-15/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyJGXOFTRYDUSRJL-UHFFFAOYSA-N
XLogP1.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436966
4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid
CID 107420020
2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162990
1-(2,3-dimethylcyclopentyl)-3-ethylurea
CID 116656362
4-[(2,2-dimethylpropylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440388
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
4-[(cyclopentanecarbonylamino)methyl]oxane-4-carboxylic acid
CID 115438442
4-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440480
4-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120541597
4-[(2,2,2-trifluoroethylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440293
4-[(5-methylhexan-2-ylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440547
4-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440356

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid (CID 115440584) is 4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid is CC1CCC(NC(=O)NCC2(C(=O)O)CCOCC2)C1C.
What is the InChIKey of 4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid?
The InChIKey is JGXOFTRYDUSRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10-3-4-12(11(10)2)17-14(20)16-9-15(13(18)19)5-7-21-8-6-15/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid?
4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115440584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).