12-(2-methylprop-2-enoylamino)dodecanoic acid

C16H29NO3 — CID 19386585

IUPAC12-(2-methylprop-2-enoylamino)dodecanoic acid
SMILESC=C(C)C(=O)NCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H29NO3/c1-14(2)16(20)17-13-11-9-7-5-3-4-6-8-10-12-15(18)19/h1,3-13H2,2H3,(H,17,20)(H,18,19)
InChIKeyOZXXPABRMQUIEO-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.66
Rot. Bonds13

About 12-(2-methylprop-2-enoylamino)dodecanoic acid

12-(2-methylprop-2-enoylamino)dodecanoic acid (PubChem CID 19386585) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 12-(2-methylprop-2-enoylamino)dodecanoic acid.

Molecular Properties

Compound Name12-(2-methylprop-2-enoylamino)dodecanoic acid
PubChem CID19386585
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name12-(2-methylprop-2-enoylamino)dodecanoic acid
SMILESC=C(C)C(=O)NCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H29NO3/c1-14(2)16(20)17-13-11-9-7-5-3-4-6-8-10-12-15(18)19/h1,3-13H2,2H3,(H,17,20)(H,18,19)
InChIKeyOZXXPABRMQUIEO-UHFFFAOYSA-N
XLogP3.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.66
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

16-(Butanoylamino)hexadecanoic acid
CID 118711043
6-Methacrylamidohexanoic acid
CID 100977
11-(Acryloylamino)undecanoic acid
CID 235171
11-(dodecanoylamino)undecanoic Acid
CID 4163254
11-(Methacryloylamino)undecanoic acid
CID 2764185
(S)-2-Amino-6-methacrylamidohexanoic acid
CID 18391586
12-Acrylamido dodecanoic acid
CID 20026787
7-Methacrylamidoheptanoic acid
CID 23079089
7-(Prop-2-enoylamino)heptanoic acid
CID 24699045
Methyl 6-methacrylamidohexanoate
CID 129835631
N-dodecylprop-2-enamide;6-(prop-2-enoylamino)hexanoic acid
CID 174555333
6-[2-(Fluoromethyl)prop-2-enoylamino]hexanoic acid
CID 139457951

Frequently Asked Questions

What is the IUPAC name of 12-(2-methylprop-2-enoylamino)dodecanoic acid?
The IUPAC name of 12-(2-methylprop-2-enoylamino)dodecanoic acid (CID 19386585) is 12-(2-methylprop-2-enoylamino)dodecanoic acid.
What is the SMILES notation for 12-(2-methylprop-2-enoylamino)dodecanoic acid?
The canonical SMILES for 12-(2-methylprop-2-enoylamino)dodecanoic acid is C=C(C)C(=O)NCCCCCCCCCCCC(=O)O.
What is the InChIKey of 12-(2-methylprop-2-enoylamino)dodecanoic acid?
The InChIKey is OZXXPABRMQUIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-14(2)16(20)17-13-11-9-7-5-3-4-6-8-10-12-15(18)19/h1,3-13H2,2H3,(H,17,20)(H,18,19).
What are the key properties of 12-(2-methylprop-2-enoylamino)dodecanoic acid?
12-(2-methylprop-2-enoylamino)dodecanoic acid has a molecular weight of 283.41 g/mol, XLogP of 3.66, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-methylprop-2-enoylamino)dodecanoic acid is sourced from PubChem (CID 19386585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).