2-(prop-2-enoylamino)undecanoic acid

C14H25NO3 — CID 19364831

IUPAC2-(prop-2-enoylamino)undecanoic acid
SMILESC=CC(=O)NC(CCCCCCCCC)C(=O)O
InChIInChI=1S/C14H25NO3/c1-3-5-6-7-8-9-10-11-12(14(17)18)15-13(16)4-2/h4,12H,2-3,5-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyJHHGXBMPCYDHDU-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.88
Rot. Bonds11

About 2-(prop-2-enoylamino)undecanoic acid

2-(prop-2-enoylamino)undecanoic acid (PubChem CID 19364831) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)undecanoic acid.

Molecular Properties

Compound Name2-(prop-2-enoylamino)undecanoic acid
PubChem CID19364831
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(prop-2-enoylamino)undecanoic acid
SMILESC=CC(=O)NC(CCCCCCCCC)C(=O)O
InChIInChI=1S/C14H25NO3/c1-3-5-6-7-8-9-10-11-12(14(17)18)15-13(16)4-2/h4,12H,2-3,5-11H2,1H3,(H,15,16)(H,17,18)
InChIKeyJHHGXBMPCYDHDU-UHFFFAOYSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.88
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

N-acetyl-2-aminooctanoic acid
CID 95555
N2-(2-Methylacryloyl)-L-lysine
CID 18634837
N2-Capryloyl lysine
CID 9835217
Acrylamidohexanoic acid
CID 22476910
(2S)-2-(methoxycarbonylamino)-6-(prop-2-enoylamino)hexanoic acid
CID 71452150
H-Lys(crotonyl)-OH
CID 91811002
11-(Acryloylamino)undecanoic acid
CID 235171
2-Acetamidonon-8-enoic acid
CID 16655536
2-Acetamidoheptanoic acid
CID 227941
2-Acetamidooctadecanoic acid
CID 227966
Maleimidoundecanoic acid
CID 18477222
12-Acrylamido dodecanoic acid
CID 20026787

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoylamino)undecanoic acid?
The IUPAC name of 2-(prop-2-enoylamino)undecanoic acid (CID 19364831) is 2-(prop-2-enoylamino)undecanoic acid.
What is the SMILES notation for 2-(prop-2-enoylamino)undecanoic acid?
The canonical SMILES for 2-(prop-2-enoylamino)undecanoic acid is C=CC(=O)NC(CCCCCCCCC)C(=O)O.
What is the InChIKey of 2-(prop-2-enoylamino)undecanoic acid?
The InChIKey is JHHGXBMPCYDHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-5-6-7-8-9-10-11-12(14(17)18)15-13(16)4-2/h4,12H,2-3,5-11H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(prop-2-enoylamino)undecanoic acid?
2-(prop-2-enoylamino)undecanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.88, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)undecanoic acid is sourced from PubChem (CID 19364831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).