6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid

C12H20N2O5 — CID 82740104

IUPAC6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid
SMILESCN(C(=O)NC(=O)CCCCC(=O)O)C1CCOC1
InChIInChI=1S/C12H20N2O5/c1-14(9-6-7-19-8-9)12(18)13-10(15)4-2-3-5-11(16)17/h9H,2-8H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyPUDZWEHYLYEINV-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.59
Rot. Bonds6

About 6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid

6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid (PubChem CID 82740104) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid
PubChem CID82740104
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid
SMILESCN(C(=O)NC(=O)CCCCC(=O)O)C1CCOC1
InChIInChI=1S/C12H20N2O5/c1-14(9-6-7-19-8-9)12(18)13-10(15)4-2-3-5-11(16)17/h9H,2-8H2,1H3,(H,16,17)(H,13,15,18)
InChIKeyPUDZWEHYLYEINV-UHFFFAOYSA-N
XLogP0.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[methyl(oxolan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 82740289
5-[methyl(oxolan-3-yl)amino]-5-oxopentanoic acid
CID 82732881
6-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-6-oxohexanoic acid
CID 43447313
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
5-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 43648968
3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea
CID 115695106
2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742753
6-[methyl(oxolan-3-yl)amino]hexanehydrazide
CID 82753777
6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
CID 60919659
(2S)-3-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]butanoic acid
CID 82742598
2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid
CID 43611566
3-[methyl(oxolan-3-yl)sulfamoyl]propanoic acid
CID 82731745

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid?
The IUPAC name of 6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid (CID 82740104) is 6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid is CN(C(=O)NC(=O)CCCCC(=O)O)C1CCOC1.
What is the InChIKey of 6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid?
The InChIKey is PUDZWEHYLYEINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-14(9-6-7-19-8-9)12(18)13-10(15)4-2-3-5-11(16)17/h9H,2-8H2,1H3,(H,16,17)(H,13,15,18).
What are the key properties of 6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid?
6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid has a molecular weight of 272.30 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(oxolan-3-yl)carbamoyl]amino]-6-oxohexanoic acid is sourced from PubChem (CID 82740104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).