5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid

C12H20N2O5 — CID 55013418

IUPAC5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCC1CCCCO1
InChIInChI=1S/C12H20N2O5/c15-10(5-3-6-11(16)17)14-12(18)13-8-9-4-1-2-7-19-9/h9H,1-8H2,(H,16,17)(H2,13,14,15,18)
InChIKeyFVCLPEWQJHXGRU-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.64
Rot. Bonds6

About 5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid

5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 55013418) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid
PubChem CID55013418
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCC1CCCCO1
InChIInChI=1S/C12H20N2O5/c15-10(5-3-6-11(16)17)14-12(18)13-8-9-4-1-2-7-19-9/h9H,1-8H2,(H,16,17)(H2,13,14,15,18)
InChIKeyFVCLPEWQJHXGRU-UHFFFAOYSA-N
XLogP0.64
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(oxan-2-ylmethylamino)-6-oxohexanoic acid
CID 55014045
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
6-(oxan-2-ylmethylcarbamoylamino)hexanoic acid
CID 55013881
5-(cyclopentylmethylcarbamoylamino)-5-oxopentanoic acid
CID 43371300
4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191606
4-(oxan-2-ylmethylamino)butanoic acid
CID 43473562
5-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61435718
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897
2-[[2-(oxolan-2-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 61191456
2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid
CID 63646163
5-(oxiran-2-ylmethylamino)-5-oxopentanoic acid
CID 102548386

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid (CID 55013418) is 5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)NC(=O)NCC1CCCCO1.
What is the InChIKey of 5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is FVCLPEWQJHXGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c15-10(5-3-6-11(16)17)14-12(18)13-8-9-4-1-2-7-19-9/h9H,1-8H2,(H,16,17)(H2,13,14,15,18).
What are the key properties of 5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid?
5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 272.30 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 55013418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).