4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid

C13H22N2O4 — CID 115292855

IUPAC4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid
SMILESO=C(NCC1CCCC1)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C13H22N2O4/c16-11(17)13(5-7-19-8-6-13)15-12(18)14-9-10-3-1-2-4-10/h10H,1-9H2,(H,16,17)(H2,14,15,18)
InChIKeyHJDIQXZBWBCOAG-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.11
Rot. Bonds4

About 4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid

4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid (PubChem CID 115292855) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid
PubChem CID115292855
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid
SMILESO=C(NCC1CCCC1)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C13H22N2O4/c16-11(17)13(5-7-19-8-6-13)15-12(18)14-9-10-3-1-2-4-10/h10H,1-9H2,(H,16,17)(H2,14,15,18)
InChIKeyHJDIQXZBWBCOAG-UHFFFAOYSA-N
XLogP1.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162661
4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292915
4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
CID 103162101
1-(oxan-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162688
1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162898
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]oxane-4-carboxylic acid
CID 115293281
1-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61206220
4-[(2-hydroxycyclohexyl)carbamoylamino]oxane-4-carboxylic acid
CID 115293125
4-[3-(oxolan-2-yl)propylcarbamoylamino]oxane-4-carboxylic acid
CID 106528159
4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid
CID 113280419
1-[(3-methylcyclopentyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 107414521
4-(3-propoxypropylcarbamoylamino)oxane-4-carboxylic acid
CID 82943940

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid?
The IUPAC name of 4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid (CID 115292855) is 4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid?
The canonical SMILES for 4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid is O=C(NCC1CCCC1)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid?
The InChIKey is HJDIQXZBWBCOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-11(17)13(5-7-19-8-6-13)15-12(18)14-9-10-3-1-2-4-10/h10H,1-9H2,(H,16,17)(H2,14,15,18).
What are the key properties of 4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid?
4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid is sourced from PubChem (CID 115292855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).