9-(prop-2-enoylamino)decanoic acid

C13H23NO3 — CID 21133715

IUPAC9-(prop-2-enoylamino)decanoic acid
SMILESC=CC(=O)NC(C)CCCCCCCC(=O)O
InChIInChI=1S/C13H23NO3/c1-3-12(15)14-11(2)9-7-5-4-6-8-10-13(16)17/h3,11H,1,4-10H2,2H3,(H,14,15)(H,16,17)
InChIKeyHLXHGBQDCYWTJN-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.49
Rot. Bonds10

About 9-(prop-2-enoylamino)decanoic acid

9-(prop-2-enoylamino)decanoic acid (PubChem CID 21133715) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 9-(prop-2-enoylamino)decanoic acid.

Molecular Properties

Compound Name9-(prop-2-enoylamino)decanoic acid
PubChem CID21133715
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name9-(prop-2-enoylamino)decanoic acid
SMILESC=CC(=O)NC(C)CCCCCCCC(=O)O
InChIInChI=1S/C13H23NO3/c1-3-12(15)14-11(2)9-7-5-4-6-8-10-13(16)17/h3,11H,1,4-10H2,2H3,(H,14,15)(H,16,17)
InChIKeyHLXHGBQDCYWTJN-UHFFFAOYSA-N
XLogP2.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

6-Acrylamidohexanoic Acid
CID 324200
Acrylamidohexanoic acid
CID 22476910
H-Lys(crotonyl)-OH
CID 91811002
7-[Acryloyl(nonyl)amino]heptanoic acid
CID 71399865
11-(Acryloylamino)undecanoic acid
CID 235171
2-Acetamidonon-8-enoic acid
CID 16655536
11-(Methacryloylamino)undecanoic acid
CID 2764185
(Acryloylamino)undecanoic acid
CID 19364831
12-[(2-Methylacryloyl)amino]dodecanoic acid
CID 19386585
12-Acrylamido dodecanoic acid
CID 20026787
7-Methacrylamidoheptanoic acid
CID 23079089
Sodium acrylamidoundecanoate
CID 23705985

Frequently Asked Questions

What is the IUPAC name of 9-(prop-2-enoylamino)decanoic acid?
The IUPAC name of 9-(prop-2-enoylamino)decanoic acid (CID 21133715) is 9-(prop-2-enoylamino)decanoic acid.
What is the SMILES notation for 9-(prop-2-enoylamino)decanoic acid?
The canonical SMILES for 9-(prop-2-enoylamino)decanoic acid is C=CC(=O)NC(C)CCCCCCCC(=O)O.
What is the InChIKey of 9-(prop-2-enoylamino)decanoic acid?
The InChIKey is HLXHGBQDCYWTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-12(15)14-11(2)9-7-5-4-6-8-10-13(16)17/h3,11H,1,4-10H2,2H3,(H,14,15)(H,16,17).
What are the key properties of 9-(prop-2-enoylamino)decanoic acid?
9-(prop-2-enoylamino)decanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(prop-2-enoylamino)decanoic acid is sourced from PubChem (CID 21133715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).