7-amino-2-prop-2-enoyldodecanoic acid

C15H27NO3 — CID 175183655

IUPAC7-amino-2-prop-2-enoyldodecanoic acid
SMILESC=CC(=O)C(CCCCC(N)CCCCC)C(=O)O
InChIInChI=1S/C15H27NO3/c1-3-5-6-9-12(16)10-7-8-11-13(15(18)19)14(17)4-2/h4,12-13H,2-3,5-11,16H2,1H3,(H,18,19)
InChIKeySCVNWRXABHEGOC-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.91
Rot. Bonds12

About 7-amino-2-prop-2-enoyldodecanoic acid

7-amino-2-prop-2-enoyldodecanoic acid (PubChem CID 175183655) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 7-amino-2-prop-2-enoyldodecanoic acid.

Molecular Properties

Compound Name7-amino-2-prop-2-enoyldodecanoic acid
PubChem CID175183655
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name7-amino-2-prop-2-enoyldodecanoic acid
SMILESC=CC(=O)C(CCCCC(N)CCCCC)C(=O)O
InChIInChI=1S/C15H27NO3/c1-3-5-6-9-12(16)10-7-8-11-13(15(18)19)14(17)4-2/h4,12-13H,2-3,5-11,16H2,1H3,(H,18,19)
InChIKeySCVNWRXABHEGOC-UHFFFAOYSA-N
XLogP2.91
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-aminononadec-1-en-3-one
CID 141408197
4-aminotridec-1-en-3-one
CID 168863817
2-aminodecanoic acid;prop-2-enoic acid
CID 160700626
acetic acid;heptatriacontan-19-amine
CID 173373447
2-octylpropanedioic acid
CID 12972
2-nonacosylpropanedioic acid
CID 19851286
2-icosylpropanedioic acid
CID 11582738
bis(prop-2-enyl) 2-heptylpropanedioate
CID 21304231
(2S,3R)-3-amino-2-hydroxynonanoic acid
CID 87495768
2-but-3-enoylhexadecanoic acid
CID 175195311
2-carbamoylhexadecanoic acid
CID 172818471
calcium;2-dodecylpropanedioic acid;hydride
CID 174967778

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-prop-2-enoyldodecanoic acid?
The IUPAC name of 7-amino-2-prop-2-enoyldodecanoic acid (CID 175183655) is 7-amino-2-prop-2-enoyldodecanoic acid.
What is the SMILES notation for 7-amino-2-prop-2-enoyldodecanoic acid?
The canonical SMILES for 7-amino-2-prop-2-enoyldodecanoic acid is C=CC(=O)C(CCCCC(N)CCCCC)C(=O)O.
What is the InChIKey of 7-amino-2-prop-2-enoyldodecanoic acid?
The InChIKey is SCVNWRXABHEGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-5-6-9-12(16)10-7-8-11-13(15(18)19)14(17)4-2/h4,12-13H,2-3,5-11,16H2,1H3,(H,18,19).
What are the key properties of 7-amino-2-prop-2-enoyldodecanoic acid?
7-amino-2-prop-2-enoyldodecanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.91, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-prop-2-enoyldodecanoic acid is sourced from PubChem (CID 175183655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).