5-(oxan-4-ylcarbamoylamino)hexanoic acid

C12H22N2O4 — CID 82844829

IUPAC5-(oxan-4-ylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NC1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-9(3-2-4-11(15)16)13-12(17)14-10-5-7-18-8-6-10/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyKPFHANRVFGCHOI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.11
Rot. Bonds6

About 5-(oxan-4-ylcarbamoylamino)hexanoic acid

5-(oxan-4-ylcarbamoylamino)hexanoic acid (PubChem CID 82844829) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(oxan-4-ylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name5-(oxan-4-ylcarbamoylamino)hexanoic acid
PubChem CID82844829
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name5-(oxan-4-ylcarbamoylamino)hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NC1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-9(3-2-4-11(15)16)13-12(17)14-10-5-7-18-8-6-10/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyKPFHANRVFGCHOI-UHFFFAOYSA-N
XLogP1.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclobutylcarbamoylamino)hexanoic acid
CID 82848345
5-[(3-methyloxan-4-yl)carbamoylamino]hexanoic acid
CID 114241226
2-(oxan-4-ylcarbamoylamino)pentanedioic acid
CID 61202775
1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea
CID 128943207
(2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 79010158
4-amino-5-(oxan-4-ylamino)-5-oxopentanoic acid
CID 64896395
4-methyl-2-(oxan-4-ylcarbamoylamino)pentanoic acid
CID 61202405
4-hydroxy-N-(oxan-4-yl)pentanamide
CID 79191727
3-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361778
(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 107826347
(2R)-3-hydroxy-2-(oxan-4-ylcarbamoylamino)propanoic acid
CID 80756963
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-ylcarbamoylamino)hexanoic acid?
The IUPAC name of 5-(oxan-4-ylcarbamoylamino)hexanoic acid (CID 82844829) is 5-(oxan-4-ylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 5-(oxan-4-ylcarbamoylamino)hexanoic acid?
The canonical SMILES for 5-(oxan-4-ylcarbamoylamino)hexanoic acid is CC(CCCC(=O)O)NC(=O)NC1CCOCC1.
What is the InChIKey of 5-(oxan-4-ylcarbamoylamino)hexanoic acid?
The InChIKey is KPFHANRVFGCHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(3-2-4-11(15)16)13-12(17)14-10-5-7-18-8-6-10/h9-10H,2-8H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 5-(oxan-4-ylcarbamoylamino)hexanoic acid?
5-(oxan-4-ylcarbamoylamino)hexanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-ylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 82844829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).