10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid

C15H25NO4 — CID 159095160

IUPAC10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid
SMILESC=CC(=O)NC(C)(C)C(=O)CCCCCCCC(=O)O
InChIInChI=1S/C15H25NO4/c1-4-13(18)16-15(2,3)12(17)10-8-6-5-7-9-11-14(19)20/h4H,1,5-11H2,2-3H3,(H,16,18)(H,19,20)
InChIKeyKCONBJHOSQMZJA-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.45
Rot. Bonds11

About 10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid

10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid (PubChem CID 159095160) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid.

Molecular Properties

Compound Name10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid
PubChem CID159095160
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid
SMILESC=CC(=O)NC(C)(C)C(=O)CCCCCCCC(=O)O
InChIInChI=1S/C15H25NO4/c1-4-13(18)16-15(2,3)12(17)10-8-6-5-7-9-11-14(19)20/h4H,1,5-11H2,2-3H3,(H,16,18)(H,19,20)
InChIKeyKCONBJHOSQMZJA-UHFFFAOYSA-N
XLogP2.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-3,9-dioxodecan-2-yl)prop-2-enamide
CID 153102951
2-hydroxy-7-methyl-6-oxo-7-(prop-2-enoylamino)octanoic acid
CID 158616339
sodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid
CID 175046256
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
17,17-dimethyl-16-oxooctadecanoic acid
CID 139546409
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159
decanedioic acid;prop-2-enoic acid
CID 87433899
CID 131887558
CID 131887558
4-[methyl-[3-methyl-3-(prop-2-enoylamino)butyl]amino]butanoic acid
CID 174687631
2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 102442932
hexanedioic acid;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methyl prop-2-enoate
CID 174398142
buta-1,3-diene;decanedioic acid
CID 87614862

Frequently Asked Questions

What is the IUPAC name of 10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid?
The IUPAC name of 10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid (CID 159095160) is 10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid.
What is the SMILES notation for 10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid?
The canonical SMILES for 10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid is C=CC(=O)NC(C)(C)C(=O)CCCCCCCC(=O)O.
What is the InChIKey of 10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid?
The InChIKey is KCONBJHOSQMZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-4-13(18)16-15(2,3)12(17)10-8-6-5-7-9-11-14(19)20/h4H,1,5-11H2,2-3H3,(H,16,18)(H,19,20).
What are the key properties of 10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid?
10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid has a molecular weight of 283.37 g/mol, XLogP of 2.45, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9-oxo-10-(prop-2-enoylamino)undecanoic acid is sourced from PubChem (CID 159095160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).